Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein/Non-structural protein 4A' and Ligand = 'BDBM50122907'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50122907 ((4R,7S,10S,13S,16S,19S)-19-acetamido-13-benzhydryl...) Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C50H63N7O13S/c1-30(58)52-38(27-42(63)64)49(69)53-36(23-25-41(61)62)47(67)57-44(43(33-18-10-4-11-19-33)34-20-12-5-13-21-34)50(70)54-35(22-24-40(59)60)46(66)55-37(26-31-14-6-2-7-15-31)48(68)56-39(29-71)45(65)51-28-32-16-8-3-9-17-32/h3-5,8-13,16-21,31,35-39,43-44,71H,2,6-7,14-15,22-29H2,1H3,(H,51,65)(H,52,58)(H,53,69)(H,54,70)(H,55,66)(H,56,68)(H,57,67)(H,59,60)(H,61,62)(H,63,64)/t35-,36-,37-,38-,39-,44-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
MRL Rome Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C NS3/NS4A protease				J Med Chem 46: 345-8 (2003) Article DOI: 10.1021/jm025594q BindingDB Entry DOI: 10.7270/Q2CF9PF1
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