BDBM50054694 CHEMBL3318974

SMILES: Clc1ccc(cc1)C1(CC1)c1nnc2c(OC3CCOCC3)cccn12

InChI Key: InChIKey=ZTWRRZZEACRUHL-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50054694   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50054694 (CHEMBL3318974) Show SMILES Clc1ccc(cc1)C1(CC1)c1nnc2c(OC3CCOCC3)cccn12 Show InChI InChI=1S/C20H20ClN3O2/c21-15-5-3-14(4-6-15)20(9-10-20)19-23-22-18-17(2-1-11-24(18)19)26-16-7-12-25-13-8-16/h1-6,11,16H,7-10,12-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD-1 expressed in HEK293 EBNA cells using [3H]-cortisone and NADPH by scintillation proximity assay				ACS Med Chem Lett 5: 803-8 (2014) Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W
					More data for this Ligand-Target Pair
Pregnane X receptor (Homo sapiens (Human))	BDBM50054694 (CHEMBL3318974) Show SMILES Clc1ccc(cc1)C1(CC1)c1nnc2c(OC3CCOCC3)cccn12 Show InChI InChI=1S/C20H20ClN3O2/c21-15-5-3-14(4-6-15)20(9-10-20)19-23-22-18-17(2-1-11-24(18)19)26-16-7-12-25-13-8-16/h1-6,11,16H,7-10,12-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Activation of PXR (unknown origin)				ACS Med Chem Lett 5: 803-8 (2014) Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W
					More data for this Ligand-Target Pair