BDBM50260910 4-(3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)pyridine::CHEMBL522066

SMILES: Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1ccncc1

InChI Key: InChIKey=LXGZRMOAZHRDOH-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 = 50260910   

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))	BDBM50260910 (4-(3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1ccncc1 Show InChI InChI=1S/C24H20Cl2N4/c1-30-22(20-8-3-17(15-21(20)26)16-9-13-27-14-10-16)28-29-23(30)24(11-2-12-24)18-4-6-19(25)7-5-18/h3-10,13-15H,2,11-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.70E+3	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))	BDBM50260910 (4-(3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1ccncc1 Show InChI InChI=1S/C24H20Cl2N4/c1-30-22(20-8-3-17(15-21(20)26)16-9-13-27-14-10-16)28-29-23(30)24(11-2-12-24)18-4-6-19(25)7-5-18/h3-10,13-15H,2,11-12H2,1H3	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))	BDBM50260910 (4-(3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1ccncc1 Show InChI InChI=1S/C24H20Cl2N4/c1-30-22(20-8-3-17(15-21(20)26)16-9-13-27-14-10-16)28-29-23(30)24(11-2-12-24)18-4-6-19(25)7-5-18/h3-10,13-15H,2,11-12H2,1H3	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	2	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))	BDBM50260910 (4-(3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1ccncc1 Show InChI InChI=1S/C24H20Cl2N4/c1-30-22(20-8-3-17(15-21(20)26)16-9-13-27-14-10-16)28-29-23(30)24(11-2-12-24)18-4-6-19(25)7-5-18/h3-10,13-15H,2,11-12H2,1H3	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	1	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