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BDBM50073135 (S)-2-[3-(3,5-Dichloro-benzoylamino)-2,2-dimethyl-nonanoylamino]-3-phenyl-propionic acid ethyl ester::CHEMBL108343

SMILES: CCCCCCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC

InChI Key: InChIKey=JTGHENRHNSIXGJ-SKCDSABHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50073135   
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
Beta-chymotrypsin


(Bos taurus)		BDBM50073135
PNG
((S)-2-[3-(3,5-Dichloro-benzoylamino)-2,2-dimethyl-...)
Show SMILES CCCCCCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC
Show InChI InChI=1S/C29H38Cl2N2O4/c1-5-7-8-12-15-25(33-26(34)21-17-22(30)19-23(31)18-21)29(3,4)28(36)32-24(27(35)37-6-2)16-20-13-10-9-11-14-20/h9-11,13-14,17-19,24-25H,5-8,12,15-16H2,1-4H3,(H,32,36)(H,33,34)/t24-,25?/m0/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine alpha chymotrypsin.

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