Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein [1027-1207,D168A]' and Ligand = 'BDBM241940'   

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 [1027-1207,D168A] (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM241940 (US9422333, I-1) Show SMILES CC(C)(C)NC(=O)N[C@@H](CNC(=O)C=C)C(=O)N1CC2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C |r,w:25.26| Show InChI InChI=1S/C27H42N6O6/c1-7-18(34)29-12-17(31-25(39)32-26(2,3)4)24(38)33-13-15-19(27(15,5)6)20(33)23(37)30-16(21(35)22(28)36)11-14-9-8-10-14/h7,14-17,19-20H,1,8-13H2,2-6H3,(H2,28,36)(H,29,34)(H,30,37)(H2,31,32,39)/t15?,16?,17-,19-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	312	n/a	n/a	n/a	n/a	7.8	25
Celgene Avilomics Research, Inc. US Patent					Assay Description The protocol is a modified FRET-based assay (v_02) from In Vitro Resistance Studies of HCV Serine Protease Inhibitors, 2004, JBC, vol. 279, No. 17, p...				US Patent US9422333 (2016) BindingDB Entry DOI: 10.7270/Q2B27T6P
					More data for this Ligand-Target Pair
Genome polyprotein [1027-1207,D168A] (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM241940 (US9422333, I-1) Show SMILES CC(C)(C)NC(=O)N[C@@H](CNC(=O)C=C)C(=O)N1CC2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C |r,w:25.26| Show InChI InChI=1S/C27H42N6O6/c1-7-18(34)29-12-17(31-25(39)32-26(2,3)4)24(38)33-13-15-19(27(15,5)6)20(33)23(37)30-16(21(35)22(28)36)11-14-9-8-10-14/h7,14-17,19-20H,1,8-13H2,2-6H3,(H2,28,36)(H,29,34)(H,30,37)(H2,31,32,39)/t15?,16?,17-,19-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.55E+3	n/a	n/a	n/a	n/a	7.5	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description The protocol is a modified FRET-based assay (v_03) developed to evaluate compound potency, rank-order and resistance profiles against wild type and C...				US Patent US9422333 (2016) BindingDB Entry DOI: 10.7270/Q2B27T6P
					More data for this Ligand-Target Pair