Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM403676'   

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 (Virus))	BDBM403676 ((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-14-cyano-N-[(...) Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCC(F)(F)c1nc3ccc(cc3nc1O2)C#N)C(C)(C)C |r| Show InChI InChI=1S/C40H49F4N7O8S/c1-6-22-27-19-51(28(22)32(52)49-39(17-23(39)31(41)42)35(54)50-60(56,57)38(5)13-14-38)34(53)30(37(2,3)4)48-36(55)59-26-16-21(26)9-7-8-12-40(43,44)29-33(58-27)47-25-15-20(18-45)10-11-24(25)46-29/h10-11,15,21-23,26-28,30-31H,6-9,12-14,16-17,19H2,1-5H3,(H,48,55)(H,49,52)(H,50,54)/t21-,22-,23+,26-,27+,28+,30-,39-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate k3a) (HCV))	BDBM403676 ((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-14-cyano-N-[(...) Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCC(F)(F)c1nc3ccc(cc3nc1O2)C#N)C(C)(C)C |r| Show InChI InChI=1S/C40H49F4N7O8S/c1-6-22-27-19-51(28(22)32(52)49-39(17-23(39)31(41)42)35(54)50-60(56,57)38(5)13-14-38)34(53)30(37(2,3)4)48-36(55)59-26-16-21(26)9-7-8-12-40(43,44)29-33(58-27)47-25-15-20(18-45)10-11-24(25)46-29/h10-11,15,21-23,26-28,30-31H,6-9,12-14,16-17,19H2,1-5H3,(H,48,55)(H,49,52)(H,50,54)/t21-,22-,23+,26-,27+,28+,30-,39-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair