BDBM50195498 CHEMBL426208::methyl 2-((1s,4s)-4-(4-amino-3,5-dichloro-N-cyclopropylbenzamido)-N-methylcyclohexanecarboxamido)acetate

SMILES: COC(=O)CN(C)C(=O)[C@@H]1CC[C@@H](CC1)N(C1CC1)C(=O)c1cc(Cl)c(N)c(Cl)c1

InChI Key: InChIKey=DAEAJVPMQNJONR-XBXGTLAGSA-N

Data: 2 KI  3 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 5 hits for monomerid = 50195498   

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 (11-beta-HSD1) (Rattus norvegicus (rat))	BDBM50195498 (CHEMBL426208 | methyl 2-((1s,4s)-4-(4-amino-3,5-di...) Show SMILES COC(=O)CN(C)C(=O)[C@@H]1CC[C@@H](CC1)N(C1CC1)C(=O)c1cc(Cl)c(N)c(Cl)c1 |wU:9.8,12.15,(7.25,-36.24,;8.59,-35.48,;8.59,-33.94,;9.93,-33.17,;7.26,-33.16,;7.27,-31.62,;8.6,-30.86,;5.93,-30.85,;4.6,-31.61,;5.94,-29.31,;7.28,-28.54,;7.28,-26.99,;5.95,-26.23,;4.61,-27,;4.61,-28.53,;5.95,-24.69,;4.61,-23.92,;3.85,-22.58,;3.08,-23.92,;7.28,-23.92,;7.28,-22.38,;8.62,-24.69,;9.94,-23.92,;11.28,-24.68,;12.61,-23.9,;11.28,-26.23,;12.62,-27,;9.95,-27,;9.95,-28.54,;8.61,-26.23,)| Show InChI InChI=1S/C21H27Cl2N3O4/c1-25(11-18(27)30-2)20(28)12-3-5-14(6-4-12)26(15-7-8-15)21(29)13-9-16(22)19(24)17(23)10-13/h9-10,12,14-15H,3-8,11,24H2,1-2H3/t12-,14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of rat 11beta-HSD1				Bioorg Med Chem Lett 16: 6241-5 (2006) Article DOI: 10.1016/j.bmcl.2006.09.035 BindingDB Entry DOI: 10.7270/Q2B857R4
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50195498 (CHEMBL426208 | methyl 2-((1s,4s)-4-(4-amino-3,5-di...) Show SMILES COC(=O)CN(C)C(=O)[C@@H]1CC[C@@H](CC1)N(C1CC1)C(=O)c1cc(Cl)c(N)c(Cl)c1 |wU:9.8,12.15,(7.25,-36.24,;8.59,-35.48,;8.59,-33.94,;9.93,-33.17,;7.26,-33.16,;7.27,-31.62,;8.6,-30.86,;5.93,-30.85,;4.6,-31.61,;5.94,-29.31,;7.28,-28.54,;7.28,-26.99,;5.95,-26.23,;4.61,-27,;4.61,-28.53,;5.95,-24.69,;4.61,-23.92,;3.85,-22.58,;3.08,-23.92,;7.28,-23.92,;7.28,-22.38,;8.62,-24.69,;9.94,-23.92,;11.28,-24.68,;12.61,-23.9,;11.28,-26.23,;12.62,-27,;9.95,-27,;9.95,-28.54,;8.61,-26.23,)| Show InChI InChI=1S/C21H27Cl2N3O4/c1-25(11-18(27)30-2)20(28)12-3-5-14(6-4-12)26(15-7-8-15)21(29)13-9-16(22)19(24)17(23)10-13/h9-10,12,14-15H,3-8,11,24H2,1-2H3/t12-,14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in Escherichia coli by SPA				Bioorg Med Chem Lett 16: 6241-5 (2006) Article DOI: 10.1016/j.bmcl.2006.09.035 BindingDB Entry DOI: 10.7270/Q2B857R4
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2 (Rattus norvegicus)	BDBM50195498 (CHEMBL426208 | methyl 2-((1s,4s)-4-(4-amino-3,5-di...) Show SMILES COC(=O)CN(C)C(=O)[C@@H]1CC[C@@H](CC1)N(C1CC1)C(=O)c1cc(Cl)c(N)c(Cl)c1 |wU:9.8,12.15,(7.25,-36.24,;8.59,-35.48,;8.59,-33.94,;9.93,-33.17,;7.26,-33.16,;7.27,-31.62,;8.6,-30.86,;5.93,-30.85,;4.6,-31.61,;5.94,-29.31,;7.28,-28.54,;7.28,-26.99,;5.95,-26.23,;4.61,-27,;4.61,-28.53,;5.95,-24.69,;4.61,-23.92,;3.85,-22.58,;3.08,-23.92,;7.28,-23.92,;7.28,-22.38,;8.62,-24.69,;9.94,-23.92,;11.28,-24.68,;12.61,-23.9,;11.28,-26.23,;12.62,-27,;9.95,-27,;9.95,-28.54,;8.61,-26.23,)| Show InChI InChI=1S/C21H27Cl2N3O4/c1-25(11-18(27)30-2)20(28)12-3-5-14(6-4-12)26(15-7-8-15)21(29)13-9-16(22)19(24)17(23)10-13/h9-10,12,14-15H,3-8,11,24H2,1-2H3/t12-,14+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of rat 11beta-HSD2				Bioorg Med Chem Lett 16: 6241-5 (2006) Article DOI: 10.1016/j.bmcl.2006.09.035 BindingDB Entry DOI: 10.7270/Q2B857R4
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2 (Homo sapiens (Human))	BDBM50195498 (CHEMBL426208 | methyl 2-((1s,4s)-4-(4-amino-3,5-di...) Show SMILES COC(=O)CN(C)C(=O)[C@@H]1CC[C@@H](CC1)N(C1CC1)C(=O)c1cc(Cl)c(N)c(Cl)c1 |wU:9.8,12.15,(7.25,-36.24,;8.59,-35.48,;8.59,-33.94,;9.93,-33.17,;7.26,-33.16,;7.27,-31.62,;8.6,-30.86,;5.93,-30.85,;4.6,-31.61,;5.94,-29.31,;7.28,-28.54,;7.28,-26.99,;5.95,-26.23,;4.61,-27,;4.61,-28.53,;5.95,-24.69,;4.61,-23.92,;3.85,-22.58,;3.08,-23.92,;7.28,-23.92,;7.28,-22.38,;8.62,-24.69,;9.94,-23.92,;11.28,-24.68,;12.61,-23.9,;11.28,-26.23,;12.62,-27,;9.95,-27,;9.95,-28.54,;8.61,-26.23,)| Show InChI InChI=1S/C21H27Cl2N3O4/c1-25(11-18(27)30-2)20(28)12-3-5-14(6-4-12)26(15-7-8-15)21(29)13-9-16(22)19(24)17(23)10-13/h9-10,12,14-15H,3-8,11,24H2,1-2H3/t12-,14+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD2 by SPA				Bioorg Med Chem Lett 16: 6241-5 (2006) Article DOI: 10.1016/j.bmcl.2006.09.035 BindingDB Entry DOI: 10.7270/Q2B857R4
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50195498 (CHEMBL426208 | methyl 2-((1s,4s)-4-(4-amino-3,5-di...) Show SMILES COC(=O)CN(C)C(=O)[C@@H]1CC[C@@H](CC1)N(C1CC1)C(=O)c1cc(Cl)c(N)c(Cl)c1 |wU:9.8,12.15,(7.25,-36.24,;8.59,-35.48,;8.59,-33.94,;9.93,-33.17,;7.26,-33.16,;7.27,-31.62,;8.6,-30.86,;5.93,-30.85,;4.6,-31.61,;5.94,-29.31,;7.28,-28.54,;7.28,-26.99,;5.95,-26.23,;4.61,-27,;4.61,-28.53,;5.95,-24.69,;4.61,-23.92,;3.85,-22.58,;3.08,-23.92,;7.28,-23.92,;7.28,-22.38,;8.62,-24.69,;9.94,-23.92,;11.28,-24.68,;12.61,-23.9,;11.28,-26.23,;12.62,-27,;9.95,-27,;9.95,-28.54,;8.61,-26.23,)| Show InChI InChI=1S/C21H27Cl2N3O4/c1-25(11-18(27)30-2)20(28)12-3-5-14(6-4-12)26(15-7-8-15)21(29)13-9-16(22)19(24)17(23)10-13/h9-10,12,14-15H,3-8,11,24H2,1-2H3/t12-,14+	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	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in HEK293 cells by fluorescence polarization immuno-assay				Bioorg Med Chem Lett 16: 6241-5 (2006) Article DOI: 10.1016/j.bmcl.2006.09.035 BindingDB Entry DOI: 10.7270/Q2B857R4
					More data for this Ligand-Target Pair