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SMILES: Oc1cc2[C@H]3CCCN([C@H]3Cc2cc1[N+]([O-])=O)C(=O)c1ccc2nc[nH]c2c1

InChI Key: InChIKey=FKTJJPRLHWTBSG-DYVFJYSZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 99457   
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))		BDBM99457
PNG
(US8497281, 235)
Show SMILES Oc1cc2[C@H]3CCCN([C@H]3Cc2cc1[N+]([O-])=O)C(=O)c1ccc2nc[nH]c2c1 |r|
Show InChI InChI=1S/C20H18N4O4/c25-19-9-14-12(8-18(19)24(27)28)7-17-13(14)2-1-5-23(17)20(26)11-3-4-15-16(6-11)22-10-21-15/h3-4,6,8-10,13,17,25H,1-2,5,7H2,(H,21,22)/t13-,17+/m1/s1
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Similars
US Patent
n/an/a 313n/an/an/an/a6.037



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition of 11beta-HSD1 by test compounds is determined with HTRF (Homogeneous Time-Resolved Fluoresence) technology (cisbio international...

US Patent US8497281 (2013)


BindingDB Entry DOI: 10.7270/Q2G44NXT
More data for this
Ligand-Target Pair