BDBM50340372 3-(4-(2-(isopropylsulfonyl)ethyl)bicyclo[2.2.2]octan-1-yl)-4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazole::CHEMBL1761316

SMILES: CC(C)S(=O)(=O)CCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C

InChI Key: InChIKey=KGLIHOPUIXJEHX-UHFFFAOYSA-N

Data: 4 IC50

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 = 50340372   

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))	BDBM50340372 (3-(4-(2-(isopropylsulfonyl)ethyl)bicyclo[2.2.2]oct...) Show SMILES CC(C)S(=O)(=O)CCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C Show InChI InChI=1S/C23H30F3N3O2S/c1-16(2)32(30,31)15-14-21-8-11-22(12-9-21,13-10-21)20-28-27-19(29(20)3)17-6-4-5-7-18(17)23(24,25)26/h4-7,16H,8-15H2,1-3H3	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	4.10	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 expressed in CHO-K1 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation proximity assay				Bioorg Med Chem Lett 21: 2568-72 (2011) Article DOI: 10.1016/j.bmcl.2011.01.018 BindingDB Entry DOI: 10.7270/Q2QJ7HMK
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50340372 (3-(4-(2-(isopropylsulfonyl)ethyl)bicyclo[2.2.2]oct...) Show SMILES CC(C)S(=O)(=O)CCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C Show InChI InChI=1S/C23H30F3N3O2S/c1-16(2)32(30,31)15-14-21-8-11-22(12-9-21,13-10-21)20-28-27-19(29(20)3)17-6-4-5-7-18(17)23(24,25)26/h4-7,16H,8-15H2,1-3H3	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	3.60	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 expressed in CHO-K1 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation proximity assay				Bioorg Med Chem Lett 21: 2568-72 (2011) Article DOI: 10.1016/j.bmcl.2011.01.018 BindingDB Entry DOI: 10.7270/Q2QJ7HMK
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2 (Homo sapiens (Human))	BDBM50340372 (3-(4-(2-(isopropylsulfonyl)ethyl)bicyclo[2.2.2]oct...) Show SMILES CC(C)S(=O)(=O)CCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C Show InChI InChI=1S/C23H30F3N3O2S/c1-16(2)32(30,31)15-14-21-8-11-22(12-9-21,13-10-21)20-28-27-19(29(20)3)17-6-4-5-7-18(17)23(24,25)26/h4-7,16H,8-15H2,1-3H3	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 expressed in CHO-K1 cells assessed as conversion of [3H]-cortisol to [3H]-cortisone by scintillation proximity assay				Bioorg Med Chem Lett 21: 2568-72 (2011) Article DOI: 10.1016/j.bmcl.2011.01.018 BindingDB Entry DOI: 10.7270/Q2QJ7HMK
					More data for this Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2) (Mus musculus (mouse))	BDBM50340372 (3-(4-(2-(isopropylsulfonyl)ethyl)bicyclo[2.2.2]oct...) Show SMILES CC(C)S(=O)(=O)CCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C Show InChI InChI=1S/C23H30F3N3O2S/c1-16(2)32(30,31)15-14-21-8-11-22(12-9-21,13-10-21)20-28-27-19(29(20)3)17-6-4-5-7-18(17)23(24,25)26/h4-7,16H,8-15H2,1-3H3	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 expressed in CHO-K1 cells assessed as conversion of [3H]-cortisol to [3H]-cortisone by scintillation proximity assay				Bioorg Med Chem Lett 21: 2568-72 (2011) Article DOI: 10.1016/j.bmcl.2011.01.018 BindingDB Entry DOI: 10.7270/Q2QJ7HMK
					More data for this Ligand-Target Pair