BDBM50112126 CHEMBL3608406::US9464044, 74

SMILES: CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C#N

InChI Key: InChIKey=QBJWFBRBGNALMC-VMJYUYMSSA-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 = 50112126   

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))	BDBM50112126 (CHEMBL3608406 | US9464044, 74) Show SMILES CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C#N |r,wD:17.17,TLB:17:18:25:22.21.23,21:22:26:25.19.20,21:20:26:17.22.23,THB:16:17:26:25.19.20,17:22:25:26.19.18,(-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,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-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,;4.3,1.26,)| Show InChI InChI=1S/C21H26FN3O3S/c1-20(2,25-29(27,28)17-6-4-3-5-16(17)22)19(26)24-18-14-7-13-8-15(18)11-21(9-13,10-14)12-23/h3-6,13-15,18,25H,7-11H2,1-2H3,(H,24,26)/t13?,14?,15?,18-,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	2.60	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))	BDBM50112126 (CHEMBL3608406 | US9464044, 74) Show SMILES CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C#N |r,wD:17.17,TLB:17:18:25:22.21.23,21:22:26:25.19.20,21:20:26:17.22.23,THB:16:17:26:25.19.20,17:22:25:26.19.18,(-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,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-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,;4.3,1.26,)| Show InChI InChI=1S/C21H26FN3O3S/c1-20(2,25-29(27,28)17-6-4-3-5-16(17)22)19(26)24-18-14-7-13-8-15(18)11-21(9-13,10-14)12-23/h3-6,13-15,18,25H,7-11H2,1-2H3,(H,24,26)/t13?,14?,15?,18-,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	>1.00E+3	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))	BDBM50112126 (CHEMBL3608406 | US9464044, 74) Show SMILES CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C#N |r,wD:17.17,TLB:17:18:25:22.21.23,21:22:26:25.19.20,21:20:26:17.22.23,THB:16:17:26:25.19.20,17:22:25:26.19.18,(-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,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-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,;4.3,1.26,)| Show InChI InChI=1S/C21H26FN3O3S/c1-20(2,25-29(27,28)17-6-4-3-5-16(17)22)19(26)24-18-14-7-13-8-15(18)11-21(9-13,10-14)12-23/h3-6,13-15,18,25H,7-11H2,1-2H3,(H,24,26)/t13?,14?,15?,18-,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	>1.00E+3	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