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SMILES: NC(=O)C12CC3CC(C1)[C@H](NC(=O)c1cccc(NS(=O)(=O)c4cccs4)c1)C(C3)C2

InChI Key: InChIKey=ZOOODKPNCNUQMM-LSWQQERJSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 250474   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM250474
PNG
(US9464044, 102)
Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)c1cccc(NS(=O)(=O)c4cccs4)c1)C(C3)C2 |r,wU:9.10,TLB:10:9:29:3.4.30,8:3:29:9.7.6,1:3:9:29.5.6,THB:8:7:29:3.4.30,4:3:9:29.5.6,4:5:9:3.8.30,(9.14,-.66,;8.05,-1.75,;8.45,-3.23,;6.56,-1.35,;5.67,-3.27,;4.46,-2.6,;4.48,-.2,;5.23,.96,;6.56,.19,;3.9,.19,;2.57,.96,;1.23,.19,;1.23,-1.35,;-.1,.96,;-.1,2.5,;-1.43,3.27,;-2.77,2.5,;-2.77,.96,;-4.1,.19,;-5.44,.96,;-5.44,2.5,;-4.35,2.05,;-6.77,.19,;-6.77,-1.35,;-8.23,-1.82,;-9.14,-.58,;-8.23,.67,;-1.43,.19,;3.9,-1.35,;3.07,-3.25,;5.23,-2.12,)|
Show InChI InChI=1S/C22H25N3O4S2/c23-21(27)22-10-13-7-15(11-22)19(16(8-13)12-22)24-20(26)14-3-1-4-17(9-14)25-31(28,29)18-5-2-6-30-18/h1-6,9,13,15-16,19,25H,7-8,10-12H2,(H2,23,27)(H,24,26)/t13?,15?,16?,19-,22?
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MMDB

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PC cid
PC sid
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US Patent
n/an/a 1.10n/an/an/an/a6.025



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