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SMILES: O=C(N1CCC[C@H]2[C@@H]1Cc1ccc(cc21)C#C)c1ccc2nc[nH]c2c1

InChI Key: InChIKey=SBNIFNIWELRBRA-UTKZUKDTSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 99444   
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))		BDBM99444
PNG
(US8497281, 222)
Show SMILES O=C(N1CCC[C@H]2[C@@H]1Cc1ccc(cc21)C#C)c1ccc2nc[nH]c2c1 |r|
Show InChI InChI=1S/C22H19N3O/c1-2-14-5-6-15-12-21-17(18(15)10-14)4-3-9-25(21)22(26)16-7-8-19-20(11-16)24-13-23-19/h1,5-8,10-11,13,17,21H,3-4,9,12H2,(H,23,24)/t17-,21+/m1/s1
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Similars
US Patent
n/an/a 83n/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