BDBM82505 CAS_121881::NSC_121881::SB204070

SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3OCCOc23)CC1

InChI Key InChIKey=AOOSJYIINXVNHV-UHFFFAOYSA-N

Data  28 KI  8 IC50  1 Kd

  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 37 hits for monomerid = 82505   

TargetChaperonin GroEL(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataIC50: 2.50E+5nMAssay Description:Inhibition of ATPase activity of Escherichia coli GroEL expressed in Escherichia coliDH5alpha incubated for 60 mins using ATP by spectrometric analys...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 4(Guinea pig)
Molecular Neuroimaging

Curated by ChEMBL
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataKd:  0.0200nMAssay Description:Binding affinity to 5HT4 receptor in guinea pig distal colonMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 4(Guinea pig)
Molecular Neuroimaging

Curated by ChEMBL
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataIC50: 0.100nMAssay Description:Inhibition of 5-HT-evoked 5-HT4 receptor-mediated contractions in the guinea pig distal colon longitudinal muscle myenteric plexus (LMMP)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2013
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 4(Guinea pig)
Molecular Neuroimaging

Curated by ChEMBL
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataIC50: 0.0800nMAssay Description:Ability to antagonize 5-HT-evoked contractions mediated through 5-hydroxytryptamine 4 receptor activation in the guinea pig distal colon LMMPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2013
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 4(Guinea pig)
Molecular Neuroimaging

Curated by ChEMBL
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataIC50: 0.0794nMAssay Description:Ability to block 5-HT4 receptor mediated effect of 5-HT was assessed in the guinea-pig distal colon longitudinal muscle myenteric plexus preparation ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2013
Entry Details Article

TargetThiosulfate sulfurtransferase(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataIC50: 2.50E+5nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
Target60 kDa heat shock protein, mitochondrial(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 4(Guinea pig)
Molecular Neuroimaging

Curated by ChEMBL
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataKi:  0.0100nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 4(Guinea pig)
Molecular Neuroimaging

Curated by ChEMBL
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataKi:  0.0129nMAssay Description:Compound was tested for binding affinity against 5-HT4 receptor in guinea pig striata using [3H]GR-113808 as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2020
Entry Details Article

Target5-hydroxytryptamine receptor 4(Human)
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataKi:  0.0300nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/17/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 4(Human)
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataKi:  0.0600nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/17/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 4(Guinea pig)
Molecular Neuroimaging

Curated by ChEMBL
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataKi:  0.0700nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/1/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 4(Human)
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataKi:  0.100nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/17/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 4(Human)
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataKi:  0.100nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/1/2012
Entry Details Article
PubMed
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataKi:  0.126nMAssay Description:Compound was evaluated for its ability to inhibit the binding of 5-HT4 receptor radioligand [125I]SB 207710 to piglet hippocampal membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2013
Entry Details Article

Target5-hydroxytryptamine receptor 4(Rat)
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataKi:  0.310nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/29/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 4(Rat)
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataKi:  0.390nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/29/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 4(Rat)
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataKi:  1.25nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/29/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2C(Pig)
Smithkline Beecham Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataKi:  126nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 3A(Human)
Université

Curated by ChEMBL
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataKi:  158nMAssay Description:Binding affinity at 5HT3 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 3A(Rat)
Smithkline Beecham Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataKi:  398nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2011
Entry Details Article
PubMed
TargetBeta-1 adrenergic receptor(Human)
Smithkline Beecham Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Human)
Smithkline Beecham Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2011
Entry Details Article
PubMed
TargetSolute carrier family 22 member 1(Rat)
Smithkline Beecham Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2011
Entry Details Article
PubMed
TargetAdrenergic alpha2 receptor(Golden hamster)
Smithkline Beecham Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2011
Entry Details Article
PubMed
TargetBeta-2 adrenergic receptor(Human)
Smithkline Beecham Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2011
Entry Details Article
PubMed
TargetD(1A) dopamine receptor(Human)
Smithkline Beecham Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2011
Entry Details Article
PubMed
TargetD(3) dopamine receptor(Human)
Smithkline Beecham Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1D(Guinea pig)
Smithkline Beecham Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2011
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Human)
Smithkline Beecham Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2011
Entry Details Article
PubMed
TargetAdenosine receptor A1(Rat)
Smithkline Beecham Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2011
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rat)
Smithkline Beecham Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2011
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Human)
Smithkline Beecham Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2011
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Human)
Smithkline Beecham Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1E(Human)
Smithkline Beecham Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM82505(CAS_121881 | NSC_121881 | SB204070)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2011
Entry Details Article
PubMed