BDBM50356580 CHEMBL1910111

SMILES Cc1c(c(c2c(n1)C(=O)N(C2)CC(=O)OC)c3ccc(cc3Cl)Cl)CN

InChI Key InChIKey=ZPJLWUGRTVIDEI-UHFFFAOYSA-N

Data  8 KI  4 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50356580   

TargetCytochrome P450 3A4(Human)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL

LigandBDBM50356580(CHEMBL1910111)Copy SMILESCopy InChI

Affinity DataIC50: 1.70E+4nMAssay Description:Inhibition of CYP3A4 in presence of the substrate 7-bezyloxy-4-trifluoromethyl coumarinMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBSimilars

In Depth
Date in BDB:
7/20/2012
Entry Details Article
Copy Entry DOIPubMed
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TargetPotassium voltage-gated channel subfamily H member 2(Human)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL

LigandBDBM50356580(CHEMBL1910111)Copy SMILESCopy InChI

Affinity DataIC50: 8.00E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBSimilars

In Depth
Date in BDB:
7/20/2012
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL

LigandBDBM50356580(CHEMBL1910111)Copy SMILESCopy InChI

Affinity DataIC50: 8.00E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBSimilars

In Depth
Date in BDB:
7/20/2012
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL

LigandBDBM50356580(CHEMBL1910111)Copy SMILESCopy InChI

Affinity DataIC50: 8.00E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBSimilars

In Depth
Date in BDB:
7/20/2012
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetDipeptidyl peptidase 4(Human)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL

LigandBDBM50356580(CHEMBL1910111)Copy SMILESCopy InChI

Affinity DataKi:  2.70nMAssay Description:Inhibition of DPP4More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBSimilars

In Depth
Date in BDB:
7/20/2012
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetDipeptidyl peptidase 4(Human)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL

LigandBDBM50356580(CHEMBL1910111)Copy SMILESCopy InChI

Affinity DataKi:  76nMAssay Description:Inhibition of DPP4More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBSimilars

In Depth
Date in BDB:
7/20/2012
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetDipeptidyl peptidase 4(Human)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL

LigandBDBM50356580(CHEMBL1910111)Copy SMILESCopy InChI

Affinity DataKi:  76nMAssay Description:Inhibition of DPP4More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBSimilars

In Depth
Date in BDB:
7/20/2012
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetDipeptidyl peptidase 9(Human)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL

LigandBDBM50356580(CHEMBL1910111)Copy SMILESCopy InChI

Affinity DataKi:  3.44E+3nMAssay Description:Inhibition of DPP9More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBSimilars

In Depth
Date in BDB:
7/20/2012
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetDipeptidyl peptidase 8(Human)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL

LigandBDBM50356580(CHEMBL1910111)Copy SMILESCopy InChI

Affinity DataKi:  3.99E+3nMAssay Description:Inhibition of DPP8More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBSimilars

In Depth
Date in BDB:
7/20/2012
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetDipeptidyl peptidase 8(Human)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL

LigandBDBM50356580(CHEMBL1910111)Copy SMILESCopy InChI

Affinity DataKi:  4.00E+3nMAssay Description:Inhibition of DPP8More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBSimilars

In Depth
Date in BDB:
7/20/2012
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetDipeptidyl peptidase 9(Human)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL

LigandBDBM50356580(CHEMBL1910111)Copy SMILESCopy InChI

Affinity DataKi: >3.00E+4nMAssay Description:Inhibition of DPP9More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBSimilars

In Depth
Date in BDB:
7/20/2012
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetDipeptidyl peptidase 8(Human)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL

LigandBDBM50356580(CHEMBL1910111)Copy SMILESCopy InChI

Affinity DataKi: >3.00E+4nMAssay Description:Inhibition of DPP8More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBSimilars

In Depth
Date in BDB:
7/20/2012
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL