BDBM50112141 CHEMBL3609869::US9464044, 3

SMILES: NC(=O)C12CC3CC(C1)[C@H](NC(=O)C1(CNS(=O)(=O)c4ccccc4F)CC1)C(C3)C2

InChI Key: InChIKey=LKHAHWGVPJFLCN-PZVDWXJSSA-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 = 50112141   

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))	BDBM50112141 (CHEMBL3609869 | US9464044, 3) Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)C1(CNS(=O)(=O)c4ccccc4F)CC1)C(C3)C2 |r,wD:9.10,TLB:10:9:29:3.4.30,8:3:29:9.7.6,THB:1:3:29:9.7.6,9:28:4:8.7.6,9:7:4:29.30.28,8:7:29:3.4.30,(3.79,.16,;3.07,1.16,;3.58,2.29,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-4.99,.63,;-6.03,-1.55,;-5.81,-3.07,;-7.02,-4.02,;-6.8,-5.55,;-5.66,-6.01,;-5.83,-4.79,;-8.01,-6.5,;-9.44,-5.93,;-10.65,-6.88,;-10.43,-8.41,;-9,-8.98,;-7.79,-8.03,;-6.65,-8.48,;-6.85,-.39,;-7.43,-1.82,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C22H28FN3O4S/c23-16-3-1-2-4-17(16)31(29,30)25-12-21(5-6-21)20(28)26-18-14-7-13-8-15(18)11-22(9-13,10-14)19(24)27/h1-4,13-15,18,25H,5-12H2,(H2,24,27)(H,26,28)/t13?,14?,15?,18-,22?	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	6.20	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))	BDBM50112141 (CHEMBL3609869 | US9464044, 3) Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)C1(CNS(=O)(=O)c4ccccc4F)CC1)C(C3)C2 |r,wD:9.10,TLB:10:9:29:3.4.30,8:3:29:9.7.6,THB:1:3:29:9.7.6,9:28:4:8.7.6,9:7:4:29.30.28,8:7:29:3.4.30,(3.79,.16,;3.07,1.16,;3.58,2.29,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-4.99,.63,;-6.03,-1.55,;-5.81,-3.07,;-7.02,-4.02,;-6.8,-5.55,;-5.66,-6.01,;-5.83,-4.79,;-8.01,-6.5,;-9.44,-5.93,;-10.65,-6.88,;-10.43,-8.41,;-9,-8.98,;-7.79,-8.03,;-6.65,-8.48,;-6.85,-.39,;-7.43,-1.82,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C22H28FN3O4S/c23-16-3-1-2-4-17(16)31(29,30)25-12-21(5-6-21)20(28)26-18-14-7-13-8-15(18)11-22(9-13,10-14)19(24)27/h1-4,13-15,18,25H,5-12H2,(H2,24,27)(H,26,28)/t13?,14?,15?,18-,22?	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	13	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))	BDBM50112141 (CHEMBL3609869 | US9464044, 3) Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)C1(CNS(=O)(=O)c4ccccc4F)CC1)C(C3)C2 |r,wD:9.10,TLB:10:9:29:3.4.30,8:3:29:9.7.6,THB:1:3:29:9.7.6,9:28:4:8.7.6,9:7:4:29.30.28,8:7:29:3.4.30,(3.79,.16,;3.07,1.16,;3.58,2.29,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-4.99,.63,;-6.03,-1.55,;-5.81,-3.07,;-7.02,-4.02,;-6.8,-5.55,;-5.66,-6.01,;-5.83,-4.79,;-8.01,-6.5,;-9.44,-5.93,;-10.65,-6.88,;-10.43,-8.41,;-9,-8.98,;-7.79,-8.03,;-6.65,-8.48,;-6.85,-.39,;-7.43,-1.82,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C22H28FN3O4S/c23-16-3-1-2-4-17(16)31(29,30)25-12-21(5-6-21)20(28)26-18-14-7-13-8-15(18)11-22(9-13,10-14)19(24)27/h1-4,13-15,18,25H,5-12H2,(H2,24,27)(H,26,28)/t13?,14?,15?,18-,22?	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	6	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