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SMILES: Cn1cc(cn1)C1=NC(=O)N[C@@H](C1c1ccsc1)c1ccc(C(O)=O)c(O)c1

InChI Key: InChIKey=DYZHMEZHAFZSRU-OEMAIJDKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 123709   
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
Alcohol dehydrogenase class-3


(Homo sapiens (Human))		BDBM123709
PNG
(US8741915, 168)
Show SMILES Cn1cc(cn1)C1=NC(=O)N[C@@H](C1c1ccsc1)c1ccc(C(O)=O)c(O)c1 |r,t:7|
Show InChI InChI=1S/C19H16N4O4S/c1-23-8-12(7-20-23)17-15(11-4-5-28-9-11)16(21-19(27)22-17)10-2-3-13(18(25)26)14(24)6-10/h2-9,15-16,24H,1H3,(H,21,27)(H,25,26)/t15?,16-/m1/s1
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Similars
US Patent
n/an/a 4.25E+3n/an/an/an/a7.425



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...

US Patent US8741915 (2014)


BindingDB Entry DOI: 10.7270/Q2X34W5J
More data for this
Ligand-Target Pair