Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein/Non-structural protein 4A' and Ligand = 'BDBM50537563'   

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)	BDBM50537563 (CHEMBL4634405) Show SMILES CC(=O)N[C@@H](C(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](CC(F)F)C(O)=O |r| Show InChI InChI=1S/C43H54F2N6O14/c1-23(52)46-36(43(64)65)41(61)48-28(18-20-33(55)56)38(58)51-35(34(25-13-7-3-8-14-25)26-15-9-4-10-16-26)40(60)47-27(17-19-32(53)54)37(57)49-29(21-24-11-5-2-6-12-24)39(59)50-30(42(62)63)22-31(44)45/h3-4,7-10,13-16,24,27-31,34-36H,2,5-6,11-12,17-22H2,1H3,(H,46,52)(H,47,60)(H,48,61)(H,49,57)(H,50,59)(H,51,58)(H,53,54)(H,55,56)(H,62,63)(H,64,65)/t27-,28-,29-,30-,35-,36+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of Epidermal growth factor receptor from human A431 cell membranes				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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