Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50120298'   

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 (Hepatitis C virus)	BDBM50120298 (CHEMBL109434 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1ccccc1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C43H65BN6O11/c1-23(2)35(48-38(56)28(16-18-33(51)52)46-37(55)27(45)22-34(53)54)40(58)49-36(24(3)4)41(59)50-19-11-14-29(50)39(57)47-32(17-15-25-12-9-8-10-13-25)44-60-31-21-26-20-30(42(26,5)6)43(31,7)61-44/h8-10,12-13,23-24,26-32,35-36H,11,14-22,45H2,1-7H3,(H,46,55)(H,47,57)(H,48,56)(H,49,58)(H,51,52)(H,53,54)/t26-,27-,28-,29+,30-,31+,32-,35-,36-,43-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
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