BDBM50112142 CHEMBL3609870::US9464044, 81

SMILES: CC(C)(NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O

InChI Key: InChIKey=HSZJCINHDRLUDX-GXFRMTCLSA-N

Data: 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 3 hits for monomerid = 50112142   

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))	BDBM50112142 (CHEMBL3609870 | US9464044, 81) Show SMILES CC(C)(NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:16.16,TLB:20:21:25:24.18.19,20:19:25:16.21.22,16:17:24:21.20.22,THB:15:16:25:24.18.19,16:21:24:25.18.17,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-11.31,-2.31,;-12.74,-1.74,;-12.96,-.21,;-11.75,.74,;-10.32,.17,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)| Show InChI InChI=1S/C21H29N3O4S/c1-20(2,24-29(27,28)16-6-4-3-5-7-16)19(26)23-17-14-8-13-9-15(17)12-21(10-13,11-14)18(22)25/h3-7,13-15,17,24H,8-12H2,1-2H3,(H2,22,25)(H,23,26)/t13?,14?,15?,17-,21?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	6.0	25
AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...				US Patent US9464044 (2016) BindingDB Entry DOI: 10.7270/Q2SJ1JH0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50112142 (CHEMBL3609870 | US9464044, 81) Show SMILES CC(C)(NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:16.16,TLB:20:21:25:24.18.19,20:19:25:16.21.22,16:17:24:21.20.22,THB:15:16:25:24.18.19,16:21:24:25.18.17,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-11.31,-2.31,;-12.74,-1.74,;-12.96,-.21,;-11.75,.74,;-10.32,.17,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)| Show InChI InChI=1S/C21H29N3O4S/c1-20(2,24-29(27,28)16-6-4-3-5-7-16)19(26)23-17-14-8-13-9-15(17)12-21(10-13,11-14)18(22)25/h3-7,13-15,17,24H,8-12H2,1-2H3,(H2,22,25)(H,23,26)/t13?,14?,15?,17-,21?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Incheon National University Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1				Bioorg Med Chem Lett 25: 3501-6 (2015) BindingDB Entry DOI: 10.7270/Q2BP04KW
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50112142 (CHEMBL3609870 | US9464044, 81) Show SMILES CC(C)(NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:16.16,TLB:20:21:25:24.18.19,20:19:25:16.21.22,16:17:24:21.20.22,THB:15:16:25:24.18.19,16:21:24:25.18.17,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-11.31,-2.31,;-12.74,-1.74,;-12.96,-.21,;-11.75,.74,;-10.32,.17,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)| Show InChI InChI=1S/C21H29N3O4S/c1-20(2,24-29(27,28)16-6-4-3-5-7-16)19(26)23-17-14-8-13-9-15(17)12-21(10-13,11-14)18(22)25/h3-7,13-15,17,24H,8-12H2,1-2H3,(H2,22,25)(H,23,26)/t13?,14?,15?,17-,21?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Incheon National University Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1				Bioorg Med Chem Lett 25: 3501-6 (2015) BindingDB Entry DOI: 10.7270/Q2BP04KW
					More data for this Ligand-Target Pair