BDBM50261050 3-(3-Chloro-3'-ethanesulfonyl-biphenyl-4-yl)-5-[1-(4-chloro-phenyl)-cyclobutyl]-4-methyl-4H-[1,2,4]triazole::CHEMBL521536

SMILES: CCS(=O)(=O)c1cccc(c1)-c1ccc(-c2nnc(n2C)C2(CCC2)c2ccc(Cl)cc2)c(Cl)c1

InChI Key: InChIKey=MGHNCLCNTFQOTJ-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 50261050   

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
Pregnane X receptor (Homo sapiens (Human))	BDBM50261050 (3-(3-Chloro-3'-ethanesulfonyl-biphenyl-4-yl)-5-[1-...) Show SMILES CCS(=O)(=O)c1cccc(c1)-c1ccc(-c2nnc(n2C)C2(CCC2)c2ccc(Cl)cc2)c(Cl)c1 Show InChI InChI=1S/C27H25Cl2N3O2S/c1-3-35(33,34)22-7-4-6-18(16-22)19-8-13-23(24(29)17-19)25-30-31-26(32(25)2)27(14-5-15-27)20-9-11-21(28)12-10-20/h4,6-13,16-17H,3,5,14-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human PXR				Bioorg Med Chem Lett 18: 3405-11 (2008) Article DOI: 10.1016/j.bmcl.2008.04.013 BindingDB Entry DOI: 10.7270/Q2XP74QM
					More data for this Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2) (Mus musculus (mouse))	BDBM50261050 (3-(3-Chloro-3'-ethanesulfonyl-biphenyl-4-yl)-5-[1-...) Show SMILES CCS(=O)(=O)c1cccc(c1)-c1ccc(-c2nnc(n2C)C2(CCC2)c2ccc(Cl)cc2)c(Cl)c1 Show InChI InChI=1S/C27H25Cl2N3O2S/c1-3-35(33,34)22-7-4-6-18(16-22)19-8-13-23(24(29)17-19)25-30-31-26(32(25)2)27(14-5-15-27)20-9-11-21(28)12-10-20/h4,6-13,16-17H,3,5,14-15H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse 11beta HSD2				Bioorg Med Chem Lett 18: 3405-11 (2008) Article DOI: 10.1016/j.bmcl.2008.04.013 BindingDB Entry DOI: 10.7270/Q2XP74QM
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50261050 (3-(3-Chloro-3'-ethanesulfonyl-biphenyl-4-yl)-5-[1-...) Show SMILES CCS(=O)(=O)c1cccc(c1)-c1ccc(-c2nnc(n2C)C2(CCC2)c2ccc(Cl)cc2)c(Cl)c1 Show InChI InChI=1S/C27H25Cl2N3O2S/c1-3-35(33,34)22-7-4-6-18(16-22)19-8-13-23(24(29)17-19)25-30-31-26(32(25)2)27(14-5-15-27)20-9-11-21(28)12-10-20/h4,6-13,16-17H,3,5,14-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.980	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse 11beta HSD1 by SPA assay				Bioorg Med Chem Lett 18: 3405-11 (2008) Article DOI: 10.1016/j.bmcl.2008.04.013 BindingDB Entry DOI: 10.7270/Q2XP74QM
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50261050 (3-(3-Chloro-3'-ethanesulfonyl-biphenyl-4-yl)-5-[1-...) Show SMILES CCS(=O)(=O)c1cccc(c1)-c1ccc(-c2nnc(n2C)C2(CCC2)c2ccc(Cl)cc2)c(Cl)c1 Show InChI InChI=1S/C27H25Cl2N3O2S/c1-3-35(33,34)22-7-4-6-18(16-22)19-8-13-23(24(29)17-19)25-30-31-26(32(25)2)27(14-5-15-27)20-9-11-21(28)12-10-20/h4,6-13,16-17H,3,5,14-15H2,1-2H3	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	0.980	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human 11beta HSD1 by SPA assay				Bioorg Med Chem Lett 18: 3405-11 (2008) Article DOI: 10.1016/j.bmcl.2008.04.013 BindingDB Entry DOI: 10.7270/Q2XP74QM
					More data for this Ligand-Target Pair