Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein/Non-structural protein 4A' and Ligand = 'BDBM50537566'   

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)	BDBM50537566 (CHEMBL4640558) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(C)=O)C(O)=O)C1CCCCC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC(CS)C(O)=O)OCc1ccccc1 |r| Show InChI InChI=1S/C38H54N6O13S/c1-20(2)29(36(52)44-17-24(57-18-22-10-6-4-7-11-22)16-27(44)33(49)41-26(19-58)37(53)54)42-34(50)30(23-12-8-5-9-13-23)43-32(48)25(14-15-28(46)47)40-35(51)31(38(55)56)39-21(3)45/h4,6-7,10-11,20,23-27,29-31,58H,5,8-9,12-19H2,1-3H3,(H,39,45)(H,40,51)(H,41,49)(H,42,50)(H,43,48)(H,46,47)(H,53,54)(H,55,56)/t24-,25+,26?,27+,29+,30+,31-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory potency against isolated epidermal growth factor receptor (EGFR) from human A431 carcinoma cells				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
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