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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50073125   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Chymotrypsinogen A


(Bos taurus (bovine))		BDBM50073125
PNG
((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan...)
Show SMILES CCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC
Show InChI InChI=1S/C29H37N3O4/c1-5-6-7-11-14-25(32-26(33)23-17-15-22(20-30)16-18-23)29(2,3)28(35)31-24(27(34)36-4)19-21-12-9-8-10-13-21/h8-10,12-13,15-18,24-25H,5-7,11,14,19H2,1-4H3,(H,31,35)(H,32,33)/t24-,25?/m0/s1
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Article
PubMed
 1.20E+4n/an/an/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Compound was evaluated for inactivation of bovine alpha-Chymotrypsin Kinetic constant(Ki)

J Med Chem 42: 312-23 (1999)


Article DOI: 10.1021/jm980562h
BindingDB Entry DOI: 10.7270/Q2930SBF
More data for this
Ligand-Target Pair