BDBM50054696 CHEMBL3318972

SMILES: Cc1ncccc1Oc1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1

InChI Key: InChIKey=ODDIZXNBPIGTFD-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 = 50054696   

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))	BDBM50054696 (CHEMBL3318972) Show SMILES Cc1ncccc1Oc1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H17ClN4O/c1-14-17(4-2-12-23-14)27-18-5-3-13-26-19(18)24-25-20(26)21(10-11-21)15-6-8-16(22)9-7-15/h2-9,12-13H,10-11H2,1H3	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	5.5	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))	BDBM50054696 (CHEMBL3318972) Show SMILES Cc1ncccc1Oc1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H17ClN4O/c1-14-17(4-2-12-23-14)27-18-5-3-13-26-19(18)24-25-20(26)21(10-11-21)15-6-8-16(22)9-7-15/h2-9,12-13H,10-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.80E+3	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