BDBM50260797 3-Biphenyl-4-yl-5-[1-(4-chloro-phenyl)-cyclobutyl]-4-methyl-4H-[1,2,4]triazole::CHEMBL525361

SMILES: Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=UXOKGMBZBAXMDM-UHFFFAOYSA-N

Data: 10 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 11 hits for monomerid = 50260797   

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))	BDBM50260797 (3-Biphenyl-4-yl-5-[1-(4-chloro-phenyl)-cyclobutyl]...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C25H22ClN3/c1-29-23(20-10-8-19(9-11-20)18-6-3-2-4-7-18)27-28-24(29)25(16-5-17-25)21-12-14-22(26)15-13-21/h2-4,6-15H,5,16-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	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
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50260797 (3-Biphenyl-4-yl-5-[1-(4-chloro-phenyl)-cyclobutyl]...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C25H22ClN3/c1-29-23(20-10-8-19(9-11-20)18-6-3-2-4-7-18)27-28-24(29)25(16-5-17-25)21-12-14-22(26)15-13-21/h2-4,6-15H,5,16-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	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 2 (Homo sapiens (Human))	BDBM50260797 (3-Biphenyl-4-yl-5-[1-(4-chloro-phenyl)-cyclobutyl]...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C25H22ClN3/c1-29-23(20-10-8-19(9-11-20)18-6-3-2-4-7-18)27-28-24(29)25(16-5-17-25)21-12-14-22(26)15-13-21/h2-4,6-15H,5,16-17H2,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 human 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 2 (11-beta-HSD2) (Mus musculus (mouse))	BDBM50260797 (3-Biphenyl-4-yl-5-[1-(4-chloro-phenyl)-cyclobutyl]...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C25H22ClN3/c1-29-23(20-10-8-19(9-11-20)18-6-3-2-4-7-18)27-28-24(29)25(16-5-17-25)21-12-14-22(26)15-13-21/h2-4,6-15H,5,16-17H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 2 (Homo sapiens (Human))	BDBM50260797 (3-Biphenyl-4-yl-5-[1-(4-chloro-phenyl)-cyclobutyl]...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C25H22ClN3/c1-29-23(20-10-8-19(9-11-20)18-6-3-2-4-7-18)27-28-24(29)25(16-5-17-25)21-12-14-22(26)15-13-21/h2-4,6-15H,5,16-17H2,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD2				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair
Pregnane X receptor (Homo sapiens (Human))	BDBM50260797 (3-Biphenyl-4-yl-5-[1-(4-chloro-phenyl)-cyclobutyl]...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C25H22ClN3/c1-29-23(20-10-8-19(9-11-20)18-6-3-2-4-7-18)27-28-24(29)25(16-5-17-25)21-12-14-22(26)15-13-21/h2-4,6-15H,5,16-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Agonist activity at PXR				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50260797 (3-Biphenyl-4-yl-5-[1-(4-chloro-phenyl)-cyclobutyl]...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C25H22ClN3/c1-29-23(20-10-8-19(9-11-20)18-6-3-2-4-7-18)27-28-24(29)25(16-5-17-25)21-12-14-22(26)15-13-21/h2-4,6-15H,5,16-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 by SPA-based assay				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50260797 (3-Biphenyl-4-yl-5-[1-(4-chloro-phenyl)-cyclobutyl]...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C25H22ClN3/c1-29-23(20-10-8-19(9-11-20)18-6-3-2-4-7-18)27-28-24(29)25(16-5-17-25)21-12-14-22(26)15-13-21/h2-4,6-15H,5,16-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 by SPA-based assay				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50260797 (3-Biphenyl-4-yl-5-[1-(4-chloro-phenyl)-cyclobutyl]...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C25H22ClN3/c1-29-23(20-10-8-19(9-11-20)18-6-3-2-4-7-18)27-28-24(29)25(16-5-17-25)21-12-14-22(26)15-13-21/h2-4,6-15H,5,16-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50260797 (3-Biphenyl-4-yl-5-[1-(4-chloro-phenyl)-cyclobutyl]...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C25H22ClN3/c1-29-23(20-10-8-19(9-11-20)18-6-3-2-4-7-18)27-28-24(29)25(16-5-17-25)21-12-14-22(26)15-13-21/h2-4,6-15H,5,16-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2) (Mus musculus (mouse))	BDBM50260797 (3-Biphenyl-4-yl-5-[1-(4-chloro-phenyl)-cyclobutyl]...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C25H22ClN3/c1-29-23(20-10-8-19(9-11-20)18-6-3-2-4-7-18)27-28-24(29)25(16-5-17-25)21-12-14-22(26)15-13-21/h2-4,6-15H,5,16-17H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD2				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair