BDBM50054785 CHEMBL3318965

SMILES c1ccc(c(c1)Oc2cccn3c2nnc3C4(CC4)c5ccc(cc5)Cl)F

InChI Key InChIKey=OUNKWLWWQCCPIP-UHFFFAOYSA-N

Data  1 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50054785   

TargetNuclear receptor subfamily 1 group I member 2(Human)
Bristol-Myers Squibb

Curated by ChEMBL

LigandBDBM50054785(CHEMBL3318965)Copy SMILESCopy InChI

Affinity DataEC50:  1.10E+3nMAssay Description:Activation of PXR (unknown origin)More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBSimilars

In Depth
Date in BDB:
3/29/2016
Entry Details Article
Copy Entry DOIPubMed
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Target11-beta-hydroxysteroid dehydrogenase 1(Human)
Bristol-Myers Squibb

Curated by ChEMBL

LigandBDBM50054785(CHEMBL3318965)Copy SMILESCopy InChI

Affinity DataIC50: 0.700nMAssay Description:Inhibition of human recombinant 11beta-HSD-1 expressed in HEK293 EBNA cells using [3H]-cortisone and NADPH by scintillation proximity assayMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBSimilars

In Depth
Date in BDB:
3/29/2016
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL