Compile Data Set for Download or QSAR

Found 5 hits of affinity data for UniProtKB/TrEMBL: Q99IB8   

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 genotype 2a)	BDBM35553 (1H-benzo[de]isoquinoline-1,3(2H)-dione, 1) Show SMILES OCCNc1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(Br)c1 Show InChI InChI=1S/C20H15BrN2O3/c21-12-3-1-4-13(11-12)23-19(25)15-6-2-5-14-17(22-9-10-24)8-7-16(18(14)15)20(23)26/h1-8,11,22,24H,9-10H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL Rome					Assay Description Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...				J Med Chem 52: 5217-27 (2009) Article DOI: 10.1021/jm900517t BindingDB Entry DOI: 10.7270/Q2X928P4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein (Hepatitis C virus genotype 2a)	BDBM50458020 (CHEMBL4203791) Show SMILES [#6]-[#8]-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-c1ccc(cc1)-[#6@@H]-1-[#6]-[#6]-[#6@H](-[#7]-1-c1ccc(cc1)[Si;v4]([#6])([#6])C([#6])([#6])[#6])-c1ccc(-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#8]-[#6])-[#6](-[#6])-[#6])cc1 |r| Show InChI InChI=1S/C52H73N7O8Si/c1-32(2)44(55-50(64)66-8)48(62)57-30-12-14-42(57)46(60)53-36-20-16-34(17-21-36)40-28-29-41(59(40)38-24-26-39(27-25-38)68(10,11)52(5,6)7)35-18-22-37(23-19-35)54-47(61)43-15-13-31-58(43)49(63)45(33(3)4)56-51(65)67-9/h16-27,32-33,40-45H,12-15,28-31H2,1-11H3,(H,53,60)(H,54,61)(H,55,64)(H,56,65)/t40-,41-,42-,43-,44-,45-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.00110	n/a	n/a	n/a	n/a
Chia Tai Tianqing Pharmaceutical Group Co., LTD Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 2a JFH-1 infected in human Huh7.5.1 cells assessed as reduction in viral replication after 3 days by luciferase re...				Eur J Med Chem 148: 95-105 (2018) Article DOI: 10.1016/j.ejmech.2018.02.025 BindingDB Entry DOI: 10.7270/Q24X5BDK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 2a)	BDBM50453112 (ABT-267 | CHEBI:85183 | Ombitasvir) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)[C@@H]1CC[C@H](N1c1ccc(cc1)C(C)(C)C)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)cc1 |r| Show InChI InChI=1S/C50H67N7O8/c1-30(2)42(53-48(62)64-8)46(60)55-28-10-12-40(55)44(58)51-35-20-14-32(15-21-35)38-26-27-39(57(38)37-24-18-34(19-25-37)50(5,6)7)33-16-22-36(23-17-33)52-45(59)41-13-11-29-56(41)47(61)43(31(3)4)54-49(63)65-9/h14-25,30-31,38-43H,10-13,26-29H2,1-9H3,(H,51,58)(H,52,59)(H,53,62)(H,54,63)/t38-,39-,40-,41-,42-,43-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.00260	n/a	n/a	n/a	n/a
Chia Tai Tianqing Pharmaceutical Group Co., LTD Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 2a JFH-1 infected in human Huh7.5.1 cells assessed as reduction in viral replication after 3 days by luciferase re...				Eur J Med Chem 148: 95-105 (2018) Article DOI: 10.1016/j.ejmech.2018.02.025 BindingDB Entry DOI: 10.7270/Q24X5BDK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 2a)	BDBM50458018 (CHEMBL4216436) Show SMILES [#6]-[#8]-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-c1ccc(cc1)-[#6@@H]-1-[#6]-[#6]-[#6@H](-[#7]-1-c1ccc(cc1)[Si;v4]([#6])([#6])[#6])-c1ccc(-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#8]-[#6])-[#6](-[#6])-[#6])cc1 |r| Show InChI InChI=1S/C49H67N7O8Si/c1-30(2)42(52-48(61)63-5)46(59)54-28-10-12-40(54)44(57)50-34-18-14-32(15-19-34)38-26-27-39(56(38)36-22-24-37(25-23-36)65(7,8)9)33-16-20-35(21-17-33)51-45(58)41-13-11-29-55(41)47(60)43(31(3)4)53-49(62)64-6/h14-25,30-31,38-43H,10-13,26-29H2,1-9H3,(H,50,57)(H,51,58)(H,52,61)(H,53,62)/t38-,39-,40-,41-,42-,43-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.00250	n/a	n/a	n/a	n/a
Chia Tai Tianqing Pharmaceutical Group Co., LTD Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 2a JFH-1 infected in human Huh7.5.1 cells assessed as reduction in viral replication after 3 days by luciferase re...				Eur J Med Chem 148: 95-105 (2018) Article DOI: 10.1016/j.ejmech.2018.02.025 BindingDB Entry DOI: 10.7270/Q24X5BDK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 2a)	BDBM50458023 (CHEMBL4214282) Show SMILES [#6]-[#6][Si;v4]([#6]-[#6])([#6]-[#6])c1ccc(cc1)-[#7]-1-[#6@@H](-[#6]-[#6]-[#6@H]-1-c1ccc(-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#8]-[#6])-[#6](-[#6])-[#6])cc1)-c1ccc(-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#8]-[#6])-[#6](-[#6])-[#6])cc1 |r| Show InChI InChI=1S/C52H73N7O8Si/c1-10-68(11-2,12-3)40-27-25-39(26-28-40)59-41(35-17-21-37(22-18-35)53-47(60)43-15-13-31-57(43)49(62)45(33(4)5)55-51(64)66-8)29-30-42(59)36-19-23-38(24-20-36)54-48(61)44-16-14-32-58(44)50(63)46(34(6)7)56-52(65)67-9/h17-28,33-34,41-46H,10-16,29-32H2,1-9H3,(H,53,60)(H,54,61)(H,55,64)(H,56,65)/t41-,42-,43-,44-,45-,46-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.000800	n/a	n/a	n/a	n/a
Chia Tai Tianqing Pharmaceutical Group Co., LTD Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 2a JFH-1 infected in human Huh7.5.1 cells assessed as reduction in viral replication after 3 days by luciferase re...				Eur J Med Chem 148: 95-105 (2018) Article DOI: 10.1016/j.ejmech.2018.02.025 BindingDB Entry DOI: 10.7270/Q24X5BDK
					More data for this Ligand-Target Pair