BDBM50338821 2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydroxy(phenyl)methyl)pyrrolidin-2-yl)methyl)phenyl)acetamide::CHEMBL1684585

SMILES Nc1nc(CC(=O)Nc2ccc(C[C@@H]3CC[C@@H](N3)[C@H](O)c3ccccc3)cc2)cs1

InChI Key InChIKey=BDYLGPUIUMBDQP-UHFFFAOYSA-N

Data  14 IC50  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50338821   

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50338821(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)
Affinity DataIC50: 1.90E+4nMAssay Description:Binding affinity to human ERG channelMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2017
Entry Details Article
PubMed
TargetBeta-3 adrenergic receptor(Human)
Merck And

Curated by ChEMBL
LigandPNGBDBM50338821(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)
Affinity DataEC50:  0.980nMAssay Description:Agonist activity at human beta-3 adrenergic receptor expressed in CHO cells assessed as reduction in cAMP level after 30 mins by LANCE TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck And

Curated by ChEMBL
LigandPNGBDBM50338821(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP2C9 in human liver microsomes assessed as diclofenac alpha'-hydroxylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck And

Curated by ChEMBL
LigandPNGBDBM50338821(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of CYP2D6 in human liver microsomes assessed as dextromethorphan O-demethylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50338821(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)
Affinity DataIC50: 1.12E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2011
Entry Details Article
PubMed
TargetBeta-1 adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50338821(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)
Affinity DataIC50: 2.00E+4nMAssay Description:Agonist activity at human beta1 adrenergic receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2011
Entry Details Article
PubMed
TargetBeta-3 adrenergic receptor(Human)
Merck And

Curated by ChEMBL
LigandPNGBDBM50338821(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)
Affinity DataEC50:  0.980nMAssay Description:Agonist activity at human beta3 adrenergic receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2011
Entry Details Article
PubMed
TargetSodium channel protein type 5 subunit alpha(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50338821(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human Nav1.2 channel expressed in Xenopus oocytes by two-intracellular microelectrode voltage clamp methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2017
Entry Details Article
PubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50338821(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)
Affinity DataIC50: 8.20E+3nMAssay Description:Displacement of [3H]-diltiazem from human Cav1.2 channelMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2017
Entry Details Article
PubMed
TargetBeta-2 adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50338821(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)
Affinity DataIC50: 2.00E+4nMAssay Description:Agonist activity at human beta2 adrenergic receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2011
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50338821(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP3A4 in human liver microsomes assessed as testosterone 6beta-hydroxylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2017
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck And

Curated by ChEMBL
LigandPNGBDBM50338821(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of CYP2D6 in human liver microsomes assessed as dextraomethorphan O-demethylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2017
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck And

Curated by ChEMBL
LigandPNGBDBM50338821(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP2C9 in human liver microsomes assessed as diclofenac alpha'-hydroxylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2017
Entry Details Article
PubMed
TargetBeta-2 adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50338821(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)
Affinity DataIC50: 2.00E+4nMAssay Description:Displacement of [125]I-cyanopindolol from human recombinant beta2 adrenergic receptor after 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2017
Entry Details Article
PubMed
TargetBeta-1 adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50338821(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)
Affinity DataIC50: 2.00E+4nMAssay Description:Displacement of [125]I-cyanopindolol from recombinant human beta1 adrenergic receptor after 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2017
Entry Details Article
PubMed
TargetBeta-3 adrenergic receptor(Human)
Merck And

Curated by ChEMBL
LigandPNGBDBM50338821(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)
Affinity DataEC50:  0.900nMAssay Description:Agonist activity at human beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cAMP after 30 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2017
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50338821(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of human SERT expressed in HEK293 cells preincubated for 30 mins followed by fluorescent substrate addition measured after 30 mins by plat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2017
Entry Details Article
PubMed