BDBM50054698 CHEMBL3318970

SMILES: Clc1ccc(cc1)C1(CC1)c1nnc2c(Oc3ccccc3-c3ccccc3)cccn12

InChI Key: InChIKey=PVWQXJAEVDVYLP-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 = 50054698   

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))	BDBM50054698 (CHEMBL3318970) Show SMILES Clc1ccc(cc1)C1(CC1)c1nnc2c(Oc3ccccc3-c3ccccc3)cccn12 Show InChI InChI=1S/C27H20ClN3O/c28-21-14-12-20(13-15-21)27(16-17-27)26-30-29-25-24(11-6-18-31(25)26)32-23-10-5-4-9-22(23)19-7-2-1-3-8-19/h1-15,18H,16-17H2	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	2.70	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))	BDBM50054698 (CHEMBL3318970) Show SMILES Clc1ccc(cc1)C1(CC1)c1nnc2c(Oc3ccccc3-c3ccccc3)cccn12 Show InChI InChI=1S/C27H20ClN3O/c28-21-14-12-20(13-15-21)27(16-17-27)26-30-29-25-24(11-6-18-31(25)26)32-23-10-5-4-9-22(23)19-7-2-1-3-8-19/h1-15,18H,16-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	500	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