Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM403657'   

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))	BDBM403657 ((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2S)-2-...) Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1CC(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C |r| Show InChI InChI=1S/C41H56F2N6O9S/c1-7-25-30-21-49(32(25)34(50)47-41(20-23(41)18-31(42)43)37(52)48-59(54,55)40(5)15-16-40)36(51)33(39(2,3)4)46-38(53)58-29-17-22(29)11-9-8-10-12-27-35(57-30)45-28-19-24(56-6)13-14-26(28)44-27/h13-14,19,22-23,25,29-33H,7-12,15-18,20-21H2,1-6H3,(H,46,53)(H,47,50)(H,48,52)/t22-,23-,25-,29-,30+,32+,33-,41-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0400	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))	BDBM403657 ((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2S)-2-...) Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1CC(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C |r| Show InChI InChI=1S/C41H56F2N6O9S/c1-7-25-30-21-49(32(25)34(50)47-41(20-23(41)18-31(42)43)37(52)48-59(54,55)40(5)15-16-40)36(51)33(39(2,3)4)46-38(53)58-29-17-22(29)11-9-8-10-12-27-35(57-30)45-28-19-24(56-6)13-14-26(28)44-27/h13-14,19,22-23,25,29-33H,7-12,15-18,20-21H2,1-6H3,(H,46,53)(H,47,50)(H,48,52)/t22-,23-,25-,29-,30+,32+,33-,41-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.320	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