BDBM50073136 (S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonanoylamino]-3-phenyl-propionic acid benzyl ester::CHEMBL323355

SMILES: CCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1

InChI Key: InChIKey=JOOSDCJBEPKADP-FSRLHOSWSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50073136   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Beta-chymotrypsin (Bos taurus)	BDBM50073136 ((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)OCc1ccccc1 Show InChI InChI=1S/C35H41N3O4/c1-4-5-6-13-18-31(38-32(39)29-21-19-27(24-36)20-22-29)35(2,3)34(41)37-30(23-26-14-9-7-10-15-26)33(40)42-25-28-16-11-8-12-17-28/h7-12,14-17,19-22,30-31H,4-6,13,18,23,25H2,1-3H3,(H,37,41)(H,38,39)/t30-,31?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+5	n/a	n/a	n/a	n/a	n/a	n/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
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