BDBM392076 US10301272, Example 7/9

SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2ccccc12

InChI Key InChIKey=KYIGOCCCBXRHNJ-UHFFFAOYSA-N

Data  52 IC50  3 Kd  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 57 hits for monomerid = 392076   

Target5-hydroxytryptamine receptor 6(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 254nMAssay Description:Displacement of [3H]LSD from human recombinant 5-HT6 receptor after 120 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M3(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 0.730nMAssay Description:Displacement of [3H]4-DAMP from human recombinant M3 receptor after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetSubstance-K receptor(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 1.20nMAssay Description:Displacement of [125I]NKA from human recombinant NK2 receptor after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetNeuromedin-K receptor(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 8.20nMAssay Description:Displacement of [3H]SR 142801 from human recombinant NK3 receptor after 120 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetNeuropeptide Y receptor type 2(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 0.280nMAssay Description:Displacement of [125I]peptide YY from human Y2 receptor after 120 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetNeurotensin receptor type 1(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 0.25nMAssay Description:Displacement of [125I]Tyr3-neurotensin from human recombinant NTS1 receptor after 120 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 6nMAssay Description:Displacement of [3H]DADLE from human recombinant delta opioid receptor after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 1.10nMAssay Description:Displacement of [3H]DAMGO from human recombinant mu receptor after 120 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetNociceptin receptor(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 0.980nMAssay Description:Displacement of [3H]nociceptin from human recombinant NOP receptor after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1A(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 0.430nMAssay Description:Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1B(Rat)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 14nMAssay Description:Displacement of [125I]-CYP from rat brain 5-HT1B receptor after 120 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 0.640nMAssay Description:Displacement of [3H]ketanserin human recombinant 5-HT2A receptor after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2B(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 3.20nMAssay Description:Displacement of [125I]+/-DOI from human recombinant 5-HT2B receptor after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 3A(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 4.90nMAssay Description:Displacement of [3H]BRL 43694 from human recombinant 5-HT3 receptor after 120 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 5A(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 106nMAssay Description:Displacement of [3H]LSD from human recombinant 5-HT5a receptor after 120 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M1(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 18nMAssay Description:Displacement of [125I]pirenzepine from human recombinant M1 receptor after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetVasoactive intestinal polypeptide receptor 1(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 0.470nMAssay Description:Displacement of [125I]VIP from human recombinant VPAC1 receptor after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetVasopressin V1a receptor(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 1.10nMAssay Description:Displacement of [3H]AVP from human recombinant V1a receptor after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 0.0120nMAssay Description:Displacement of [125I]apamin from rat brain SkCa channel after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 3.40nMAssay Description:Displacement of [3H]nisoxetine from recombinant human norepinephrine transporter after 120 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetSodium-dependent dopamine transporter(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 4.90nMAssay Description:Displacement of [3H]nisoxetine from recombinant human dopamine transporter after 120 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 0.610nMAssay Description:Displacement of [3H]-DPCPX from human recombinant adenosine A1 receptor after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataEC50:  2.80nMAssay Description:Inverse agonist activity at RORgammat in human CD4 positive T cells assessed as inhibition of IL17A production in human Th17 cells after 1 hrMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetSomatostatin receptor type 1/2/3/4/5(Mouse)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 0.310nMAssay Description:Displacement of [125I]Tyr11-somatostatin-14 from mouse SST receptor after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataEC50:  82nMAssay Description:Inverse agonist activity at RORgammat in human whole blood assessed as reduction in IL17A productionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetNuclear receptor ROR-beta(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 164nMAssay Description:Inverse agonist activity at human GAL4 DBD-fused RORbeta LBD (201 to 452 residues) expressed in HEK293T cells assessed as reduction in ROR mediated t...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 0.940nMAssay Description:Inverse agonist activity at human GAL4 DBD-fused RORgammat LBD (237 to 497 residues) expressed in HEK293T cells assessed as reduction in ROR mediated...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataKd:  0.120nMAssay Description:Binding affinity to RORgammat (unknown origin) assessed as dissociation constant by thermal shift binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 2nMAssay Description:Binding affinity to recombinant human RORgammat transfected in human HEK293T cells incubated for 24 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 0.170nMAssay Description:Displacement of [125I]AB-MECA from human recombinant adenosine A3 receptor after 120 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetIsoform 2 of Nuclear receptor ROR-gamma (RORgT)(Human)
Phenex Pharmaceuticals

US Patent
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 2nMAssay Description:Cells were incubated for additional 16 h before firefly (FF) luciferase activities were measured sequentially in the same cell extract using a Dual-L...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2020
Entry Details
Go to US Patent

TargetIsoform 2 of Nuclear receptor ROR-gamma (RORgT)(Human)
Phenex Pharmaceuticals

US Patent
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 1nMAssay Description:Cells were incubated for additional 16 h before renilla (REN) luciferase activities were measured sequentially in the same cell extract using a Dual-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2020
Entry Details
Go to US Patent

Target5-hydroxytryptamine receptor 7(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 0.390nMAssay Description:Displacement of [3H]LSD from human recombinant 5-HT7 receptor after 120 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 1.70nMAssay Description:Displacement of [3H]-imipramine from recombinant human 5-HT transporter after 60 mins by scintillation counting relative to controlMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 1.80nMAssay Description:Displacement of [3H]7-OH-DPAT from human recombinant dopamine D2S receptor after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 2(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 0.240nMAssay Description:Displacement of [125I]IL-8 from human recombinant CXCR2 receptor after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetMelanocortin receptor 4(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 0.210nMAssay Description:Displacement of [125I]NDP-alpha -MSH from human recombinant MC4 receptor after 120 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M2(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 48nMAssay Description:Displacement of [3H]AF-DX 384 from human recombinant M2 receptor after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetNeuropeptide Y receptor type 1(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 0.130nMAssay Description:Displacement of [125I]peptide YY from human Y1 receptor after 120 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 1.10nMAssay Description:Displacement of [3H]U69593 from human kappa receptor after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataKd:  0.120nMAssay Description:Binding affinity to recombinant human RORgamma LBD (237 to 497 residues) expressed in Escherichia coli BL21 (DE3) GOLD by 1,8-ANS dye-based thermoflu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetNuclear receptor ROR-beta(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataKd:  740nMAssay Description:Binding affinity to recombinant human RORbeta LBD (201 to 452 residues) expressed in Escherichia coli BL21 (DE3) GOLD by 1,8-ANS dye-based thermofluo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 9.20nMAssay Description:Displacement of [3H]-CGS 21680 from human recombinant adenosine A2A receptor after 120 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetIsoform 2 of Nuclear receptor ROR-gamma (RORgT)(Human)
Phenex Pharmaceuticals

US Patent
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 501nMAssay Description:Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2020
Entry Details
Go to US Patent

TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rat)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 0.25nMAssay Description:Displacement of [3H]-prazosin from rat alpha1 adrenoceptor after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 43nMAssay Description:Displacement of [3H]-RX 821002 from rat alpha2 adrenoceptor after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetBeta-1 adrenergic receptor(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 297nMAssay Description:Displacement of [3H](-)CGP 12177 from human beta1 adrenoceptor after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetType-1 angiotensin II receptor(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 0.470nMAssay Description:Displacement of [125I][Sar1,Ile8]-AT-II from human recombinant AT1 receptor after 120 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetB2 bradykinin receptor(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 21nMAssay Description:Displacement of [3H]bradykinin from human recombinant B2 receptor after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
TargetCholecystokinin receptor type A(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392076(US10301272, Example 7/9)
Affinity DataIC50: 0.120nMAssay Description:Displacement of [125I]CCK-8s from human recombinant CCK1 receptor after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2020
Entry Details Article
PubMed
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