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SMILES: O=C(N1CCC[C@H]2[C@@H]1Cc1cc(ccc21)C#N)c1ccc2nc[nH]c2c1

InChI Key: InChIKey=AQRSRWQZGJYGAF-XLIONFOSSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 99437   
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))		BDBM99437
PNG
(US8497281, 215)
Show SMILES O=C(N1CCC[C@H]2[C@@H]1Cc1cc(ccc21)C#N)c1ccc2nc[nH]c2c1 |r|
Show InChI InChI=1S/C21H18N4O/c22-11-13-3-5-16-15(8-13)10-20-17(16)2-1-7-25(20)21(26)14-4-6-18-19(9-14)24-12-23-18/h3-6,8-9,12,17,20H,1-2,7,10H2,(H,23,24)/t17-,20+/m1/s1
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Similars
US Patent
n/an/a 214n/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