Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM403664'   

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))	BDBM403664 ((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...) 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(F)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/C39H51F3N6O9S/c1-6-22-28-19-48(29(22)32(49)46-39(18-23(39)31(40)41)35(51)47-58(53,54)38(42)14-15-38)34(50)30(37(2,3)4)45-36(52)57-27-16-20(27)10-8-7-9-11-25-33(56-28)44-26-17-21(55-5)12-13-24(26)43-25/h12-13,17,20,22-23,27-31H,6-11,14-16,18-19H2,1-5H3,(H,45,52)(H,46,49)(H,47,51)/t20-,22-,23+,27-,28+,29+,30-,39-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0300	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))	BDBM403664 ((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...) 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(F)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/C39H51F3N6O9S/c1-6-22-28-19-48(29(22)32(49)46-39(18-23(39)31(40)41)35(51)47-58(53,54)38(42)14-15-38)34(50)30(37(2,3)4)45-36(52)57-27-16-20(27)10-8-7-9-11-25-33(56-28)44-26-17-21(55-5)12-13-24(26)43-25/h12-13,17,20,22-23,27-31H,6-11,14-16,18-19H2,1-5H3,(H,45,52)(H,46,49)(H,47,51)/t20-,22-,23+,27-,28+,29+,30-,39-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.120	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