Compile Data Set for Download or QSAR

Found 151 hits with Last Name = 'lilly' and Initial = 'm'   

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
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50469565 (CHEMBL4082918) Show SMILES CCc1ccc(cc1)-c1ccc(cc1)C(=O)N[C@@H]([C@@H](C)NCC(O)=O)C(=O)NO |r| Show InChI InChI=1S/C21H25N3O5/c1-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)20(27)23-19(21(28)24-29)13(2)22-12-18(25)26/h4-11,13,19,22,29H,3,12H2,1-2H3,(H,23,27)(H,24,28)(H,25,26)/t13-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 30 mins followed by sub...				J Med Chem 60: 5002-5014 (2017) Article DOI: 10.1021/acs.jmedchem.7b00377 BindingDB Entry DOI: 10.7270/Q2FN18MZ
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50469558 (CHEMBL4061041) Show SMILES CCc1ccc(cc1)-c1ccc(cc1)C(=O)N[C@@H]([C@@H](C)N)C(=O)NO |r| Show InChI InChI=1S/C19H23N3O3/c1-3-13-4-6-14(7-5-13)15-8-10-16(11-9-15)18(23)21-17(12(2)20)19(24)22-25/h4-12,17,25H,3,20H2,1-2H3,(H,21,23)(H,22,24)/t12-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.46	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 30 mins followed by sub...				J Med Chem 60: 5002-5014 (2017) Article DOI: 10.1021/acs.jmedchem.7b00377 BindingDB Entry DOI: 10.7270/Q2FN18MZ
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50249583 (CHEMBL4097399) Show SMILES CC#CCOc1ccc(cc1)C(=O)N[C@H](C(=O)NO)C(C)(C)N |r| Show InChI InChI=1S/C16H21N3O4/c1-4-5-10-23-12-8-6-11(7-9-12)14(20)18-13(15(21)19-22)16(2,3)17/h6-9,13,22H,10,17H2,1-3H3,(H,18,20)(H,19,21)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 30 mins followed by sub...				J Med Chem 60: 5002-5014 (2017) Article DOI: 10.1021/acs.jmedchem.7b00377 BindingDB Entry DOI: 10.7270/Q2FN18MZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50469562 (CHEMBL4069725) Show SMILES C[C@@H](N)[C@H](NC(=O)c1ccc(cc1)C#Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C19H19N3O3/c1-13(20)17(19(24)22-25)21-18(23)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-13,17,25H,20H2,1H3,(H,21,23)(H,22,24)/t13-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.56	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 30 mins followed by sub...				J Med Chem 60: 5002-5014 (2017) Article DOI: 10.1021/acs.jmedchem.7b00377 BindingDB Entry DOI: 10.7270/Q2FN18MZ
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50469559 (CHEMBL4063087) Show SMILES CCc1ccc(cc1)-c1ccc(cc1)C(=O)N[C@@H]([C@@H](C)NCC(=O)N1CCNC(=O)C1)C(=O)NO |r| Show InChI InChI=1S/C25H31N5O5/c1-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)24(33)28-23(25(34)29-35)16(2)27-14-22(32)30-13-12-26-21(31)15-30/h4-11,16,23,27,35H,3,12-15H2,1-2H3,(H,26,31)(H,28,33)(H,29,34)/t16-,23+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.15	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 30 mins followed by sub...				J Med Chem 60: 5002-5014 (2017) Article DOI: 10.1021/acs.jmedchem.7b00377 BindingDB Entry DOI: 10.7270/Q2FN18MZ
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50469555 (CHEMBL4090716) Show SMILES C[C@@H](NCC(=O)N1CCNC(=O)C1)[C@H](NC(=O)c1ccc(cc1)C#Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C25H27N5O5/c1-17(27-15-22(32)30-14-13-26-21(31)16-30)23(25(34)29-35)28-24(33)20-11-9-19(10-12-20)8-7-18-5-3-2-4-6-18/h2-6,9-12,17,23,27,35H,13-16H2,1H3,(H,26,31)(H,28,33)(H,29,34)/t17-,23+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.19	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 30 mins followed by sub...				J Med Chem 60: 5002-5014 (2017) Article DOI: 10.1021/acs.jmedchem.7b00377 BindingDB Entry DOI: 10.7270/Q2FN18MZ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM103282 (US8546389, 4) Show SMILES CNC(=O)c1n(nc2cc(N(CCCO)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1 Show InChI InChI=1S/C22H25BrN4O4S/c1-24-22(29)21-18-12-17(14-4-5-14)20(26(10-3-11-28)32(2,30)31)13-19(18)25-27(21)16-8-6-15(23)7-9-16/h6-9,12-14,28H,3-5,10-11H2,1-2H3,(H,24,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50469560 (CHEMBL4083624) Show SMILES CC#CCOc1ccc(cc1)C(=O)NC(C(=O)NO)C(C)(C)N Show InChI InChI=1S/C16H21N3O4/c1-4-5-10-23-12-8-6-11(7-9-12)14(20)18-13(15(21)19-22)16(2,3)17/h6-9,13,22H,10,17H2,1-3H3,(H,18,20)(H,19,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 30 mins followed by sub...				J Med Chem 60: 5002-5014 (2017) Article DOI: 10.1021/acs.jmedchem.7b00377 BindingDB Entry DOI: 10.7270/Q2FN18MZ
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50469563 (CHEMBL4079368) Show SMILES CC#CCOc1ccc(cc1)C(=O)N[C@@H]([C@H](C)N)C(=O)NO |r| Show InChI InChI=1S/C15H19N3O4/c1-3-4-9-22-12-7-5-11(6-8-12)14(19)17-13(10(2)16)15(20)18-21/h5-8,10,13,21H,9,16H2,1-2H3,(H,17,19)(H,18,20)/t10-,13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16.4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 30 mins followed by sub...				J Med Chem 60: 5002-5014 (2017) Article DOI: 10.1021/acs.jmedchem.7b00377 BindingDB Entry DOI: 10.7270/Q2FN18MZ
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50469550 (CHEMBL4070478) Show SMILES CC#CCOc1ccc(cc1)C(=O)N[C@@H]([C@@H](C)N)C(=O)NO |r| Show InChI InChI=1S/C15H19N3O4/c1-3-4-9-22-12-7-5-11(6-8-12)14(19)17-13(10(2)16)15(20)18-21/h5-8,10,13,21H,9,16H2,1-2H3,(H,17,19)(H,18,20)/t10-,13+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19.7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 30 mins followed by sub...				J Med Chem 60: 5002-5014 (2017) Article DOI: 10.1021/acs.jmedchem.7b00377 BindingDB Entry DOI: 10.7270/Q2FN18MZ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM103288 (US8546389, 99) Show SMILES CNC(=O)c1n(nc2cc(N(CCCSC)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1 Show InChI InChI=1S/C23H27BrN4O3S2/c1-25-23(29)22-19-13-18(15-5-6-15)21(27(33(3,30)31)11-4-12-32-2)14-20(19)26-28(22)17-9-7-16(24)8-10-17/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,25,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM103278 (US8546389, 216) Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)[C@H]3CCC[C@@H]3C(=O)OC)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1 |r| Show InChI InChI=1S/C30H36BrN5O6S/c1-32-29(38)27-24-16-23(18-8-9-18)26(17-25(24)34-36(27)20-12-10-19(31)11-13-20)35(43(3,40)41)15-5-14-33-28(37)21-6-4-7-22(21)30(39)42-2/h10-13,16-18,21-22H,4-9,14-15H2,1-3H3,(H,32,38)(H,33,37)/t21-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM103276 (US8546389, 191) Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)c3cccnc3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1 Show InChI InChI=1S/C28H29BrN6O4S/c1-30-28(37)26-23-15-22(18-6-7-18)25(16-24(23)33-35(26)21-10-8-20(29)9-11-21)34(40(2,38)39)14-4-13-32-27(36)19-5-3-12-31-17-19/h3,5,8-12,15-18H,4,6-7,13-14H2,1-2H3,(H,30,37)(H,32,36)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM103255 (US8546389, 22) Show SMILES CCN(c1cc2nn(c(C(=O)NC)c2cc1C1CC1)-c1ccc(Nc2ccc(F)cc2)cc1)S(C)(=O)=O Show InChI InChI=1S/C27H28FN5O3S/c1-4-32(37(3,35)36)25-16-24-23(15-22(25)17-5-6-17)26(27(34)29-2)33(31-24)21-13-11-20(12-14-21)30-19-9-7-18(28)8-10-19/h7-17,30H,4-6H2,1-3H3,(H,29,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM103256 (US8546389, 28) Show SMILES CCN(c1cc2nn(c(C(=O)NC)c2cc1C1CC1)-c1ccc(Oc2ccccc2F)cc1)S(C)(=O)=O Show InChI InChI=1S/C27H27FN4O4S/c1-4-31(37(3,34)35)24-16-23-21(15-20(24)17-9-10-17)26(27(33)29-2)32(30-23)18-11-13-19(14-12-18)36-25-8-6-5-7-22(25)28/h5-8,11-17H,4,9-10H2,1-3H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM103284 (US8546389, 54) Show SMILES CNC(=O)c1n(nc2cc(N(CCCO)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H25ClN4O4S/c1-24-22(29)21-18-12-17(14-4-5-14)20(26(10-3-11-28)32(2,30)31)13-19(18)25-27(21)16-8-6-15(23)7-9-16/h6-9,12-14,28H,3-5,10-11H2,1-2H3,(H,24,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM103279 (US8546389, 234) Show SMILES CNC(=O)c1n(nc2cc(N(C)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1 Show InChI InChI=1S/C20H21BrN4O3S/c1-22-20(26)19-16-10-15(12-4-5-12)18(24(2)29(3,27)28)11-17(16)23-25(19)14-8-6-13(21)7-9-14/h6-12H,4-5H2,1-3H3,(H,22,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM32026 (6-quinolinamine | 6-quinolylamine | BDBM32208 | ML...) Show SMILES Nc1ccc2ncccc2c1 Show InChI InChI=1S/C9H8N2/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H,10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM103280 (US8546389, 235) Show SMILES CNC(=O)c1n(nc2cc(N(CCC3COC(C)(C)OC3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H33ClN4O5S/c1-27(2)36-15-17(16-37-27)11-12-31(38(4,34)35)24-14-23-22(13-21(24)18-5-6-18)25(26(33)29-3)32(30-23)20-9-7-19(28)8-10-20/h7-10,13-14,17-18H,5-6,11-12,15-16H2,1-4H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM103272 (US8546389, 179) Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)c3nonc3C)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1 Show InChI InChI=1S/C26H28BrN7O5S/c1-15-23(32-39-31-15)25(35)29-11-4-12-33(40(3,37)38)22-14-21-20(13-19(22)16-5-6-16)24(26(36)28-2)34(30-21)18-9-7-17(27)8-10-18/h7-10,13-14,16H,4-6,11-12H2,1-3H3,(H,28,36)(H,29,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM103270 (US8546389, 175) Show SMILES CCN(c1cc2nn(c(C(=O)NC)c2cc1C1CC1)-c1ccc(Cl)cc1)S(C)(=O)=O Show InChI InChI=1S/C21H23ClN4O3S/c1-4-25(30(3,28)29)19-12-18-17(11-16(19)13-5-6-13)20(21(27)23-2)26(24-18)15-9-7-14(22)8-10-15/h7-13H,4-6H2,1-3H3,(H,23,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM103269 (US8546389, 174) Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)c3ncoc3C)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1 Show InChI InChI=1S/C27H29BrN6O5S/c1-16-24(31-15-39-16)26(35)30-11-4-12-33(40(3,37)38)23-14-22-21(13-20(23)17-5-6-17)25(27(36)29-2)34(32-22)19-9-7-18(28)8-10-19/h7-10,13-15,17H,4-6,11-12H2,1-3H3,(H,29,36)(H,30,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM103266 (US8546389, 166) Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)c3ccccc3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1 Show InChI InChI=1S/C29H30BrN5O4S/c1-31-29(37)27-24-17-23(19-9-10-19)26(18-25(24)33-35(27)22-13-11-21(30)12-14-22)34(40(2,38)39)16-6-15-32-28(36)20-7-4-3-5-8-20/h3-5,7-8,11-14,17-19H,6,9-10,15-16H2,1-2H3,(H,31,37)(H,32,36)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM103261 (US8546389, 134) Show SMILES CNC(=O)c1n(nc2cc(N(CCCNS(C)(=O)=O)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1 Show InChI InChI=1S/C23H28BrN5O5S2/c1-25-23(30)22-19-13-18(15-5-6-15)21(28(36(3,33)34)12-4-11-26-35(2,31)32)14-20(19)27-29(22)17-9-7-16(24)8-10-17/h7-10,13-15,26H,4-6,11-12H2,1-3H3,(H,25,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM103260 (US8546389, 119) Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(C)=O)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C30H33FN6O4S/c1-19(38)33-15-4-16-36(42(3,40)41)28-18-27-26(17-25(28)20-5-6-20)29(30(39)32-2)37(35-27)24-13-11-23(12-14-24)34-22-9-7-21(31)8-10-22/h7-14,17-18,20,34H,4-6,15-16H2,1-3H3,(H,32,39)(H,33,38)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50469557 (CHEMBL4091408) Show SMILES CCCCc1ccc(cc1)C(=O)N[C@@H]([C@@H](C)N)C(=O)NO |r| Show InChI InChI=1S/C15H23N3O3/c1-3-4-5-11-6-8-12(9-7-11)14(19)17-13(10(2)16)15(20)18-21/h6-10,13,21H,3-5,16H2,1-2H3,(H,17,19)(H,18,20)/t10-,13+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 30 mins followed by sub...				J Med Chem 60: 5002-5014 (2017) Article DOI: 10.1021/acs.jmedchem.7b00377 BindingDB Entry DOI: 10.7270/Q2FN18MZ
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50469554 (CHEMBL4061854) Show SMILES CC#CCOc1ccc(cc1)C(=O)N[C@@H]([C@@H](N)C(F)(F)F)C(=O)NO |r| Show InChI InChI=1S/C15H16F3N3O4/c1-2-3-8-25-10-6-4-9(5-7-10)13(22)20-11(14(23)21-24)12(19)15(16,17)18/h4-7,11-12,24H,8,19H2,1H3,(H,20,22)(H,21,23)/t11-,12+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 30 mins followed by sub...				J Med Chem 60: 5002-5014 (2017) Article DOI: 10.1021/acs.jmedchem.7b00377 BindingDB Entry DOI: 10.7270/Q2FN18MZ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM103268 (US8546389, 172) Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)C(F)(F)F)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1 Show InChI InChI=1S/C24H25BrF3N5O4S/c1-29-22(34)21-18-12-17(14-4-5-14)20(13-19(18)31-33(21)16-8-6-15(25)7-9-16)32(38(2,36)37)11-3-10-30-23(35)24(26,27)28/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,29,34)(H,30,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM103267 (US8546389, 171) Show SMILES CCCC(=O)NCCCN(c1cc2nn(c(C(=O)NC)c2cc1C1CC1)-c1ccc(Br)cc1)S(C)(=O)=O Show InChI InChI=1S/C26H32BrN5O4S/c1-4-6-24(33)29-13-5-14-31(37(3,35)36)23-16-22-21(15-20(23)17-7-8-17)25(26(34)28-2)32(30-22)19-11-9-18(27)10-12-19/h9-12,15-17H,4-8,13-14H2,1-3H3,(H,28,34)(H,29,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM103264 (US8546389, 160) Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)c3ccoc3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1 Show InChI InChI=1S/C27H28BrN5O5S/c1-29-27(35)25-22-14-21(17-4-5-17)24(15-23(22)31-33(25)20-8-6-19(28)7-9-20)32(39(2,36)37)12-3-11-30-26(34)18-10-13-38-16-18/h6-10,13-17H,3-5,11-12H2,1-2H3,(H,29,35)(H,30,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM103265 (US8546389, 164) Show SMILES CCOC(=O)CCC(=O)NCCCN(c1cc2nn(c(C(=O)NC)c2cc1C1CC1)-c1ccc(Br)cc1)S(C)(=O)=O Show InChI InChI=1S/C28H34BrN5O6S/c1-4-40-26(36)13-12-25(35)31-14-5-15-33(41(3,38)39)24-17-23-22(16-21(24)18-6-7-18)27(28(37)30-2)34(32-23)20-10-8-19(29)9-11-20/h8-11,16-18H,4-7,12-15H2,1-3H3,(H,30,37)(H,31,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM103287 (US8546389, 95) Show SMILES CNC(=O)c1n(nc2cc(N(CCC3COC(C)(C)OC3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1 Show InChI InChI=1S/C27H33BrN4O5S/c1-27(2)36-15-17(16-37-27)11-12-31(38(4,34)35)24-14-23-22(13-21(24)18-5-6-18)25(26(33)29-3)32(30-23)20-9-7-19(28)8-10-20/h7-10,13-14,17-18H,5-6,11-12,15-16H2,1-4H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM103258 (US8546389, 112) Show SMILES CNC(=O)c1n(nc2cc(N(CCN3CCOCC3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Oc2ccc(F)cc2)cc1 Show InChI InChI=1S/C31H34FN5O5S/c1-33-31(38)30-27-19-26(21-3-4-21)29(36(43(2,39)40)14-13-35-15-17-41-18-16-35)20-28(27)34-37(30)23-7-11-25(12-8-23)42-24-9-5-22(32)6-10-24/h5-12,19-21H,3-4,13-18H2,1-2H3,(H,33,38)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM103254 (US8546389, 21) Show SMILES CNC(=O)c1n(nc2cc(N(CCCO)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H30FN5O4S/c1-30-28(36)27-24-16-23(18-4-5-18)26(33(14-3-15-35)39(2,37)38)17-25(24)32-34(27)22-12-10-21(11-13-22)31-20-8-6-19(29)7-9-20/h6-13,16-18,31,35H,3-5,14-15H2,1-2H3,(H,30,36)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM103283 (US8546389, 5) Show SMILES CNC(=O)c1n(nc2cc(N(CCCO)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Nc2ccccc2F)cc1 Show InChI InChI=1S/C28H30FN5O4S/c1-30-28(36)27-22-16-21(18-8-9-18)26(33(14-5-15-35)39(2,37)38)17-25(22)32-34(27)20-12-10-19(11-13-20)31-24-7-4-3-6-23(24)29/h3-4,6-7,10-13,16-18,31,35H,5,8-9,14-15H2,1-2H3,(H,30,36)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM103277 (US8546389, 200) Show SMILES CNC(=O)c1n(nc2cc(N(CCCN3CCOCC3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1 Show InChI InChI=1S/C26H32BrN5O4S/c1-28-26(33)25-22-16-21(18-4-5-18)24(17-23(22)29-32(25)20-8-6-19(27)7-9-20)31(37(2,34)35)11-3-10-30-12-14-36-15-13-30/h6-9,16-18H,3-5,10-15H2,1-2H3,(H,28,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM103254 (US8546389, 21) Show SMILES CNC(=O)c1n(nc2cc(N(CCCO)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H30FN5O4S/c1-30-28(36)27-24-16-23(18-4-5-18)26(33(14-3-15-35)39(2,37)38)17-25(24)32-34(27)22-12-10-21(11-13-22)31-20-8-6-19(29)7-9-20/h6-13,16-18,31,35H,3-5,14-15H2,1-2H3,(H,30,36)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM103275 (US8546389, 190) Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)c3cccnc3OC)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1 Show InChI InChI=1S/C29H31BrN6O5S/c1-31-28(38)26-23-16-22(18-7-8-18)25(17-24(23)34-36(26)20-11-9-19(30)10-12-20)35(42(3,39)40)15-5-14-32-27(37)21-6-4-13-33-29(21)41-2/h4,6,9-13,16-18H,5,7-8,14-15H2,1-3H3,(H,31,38)(H,32,37)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM103285 (US8546389, 59) Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(C)=O)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1 Show InChI InChI=1S/C24H28BrN5O4S/c1-15(31)27-11-4-12-29(35(3,33)34)22-14-21-20(13-19(22)16-5-6-16)23(24(32)26-2)30(28-21)18-9-7-17(25)8-10-18/h7-10,13-14,16H,4-6,11-12H2,1-3H3,(H,26,32)(H,27,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM103273 (US8546389, 180) Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)c3cnn(C)c3C)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1 Show InChI InChI=1S/C28H32BrN7O4S/c1-17-23(16-32-34(17)3)27(37)31-12-5-13-35(41(4,39)40)25-15-24-22(14-21(25)18-6-7-18)26(28(38)30-2)36(33-24)20-10-8-19(29)9-11-20/h8-11,14-16,18H,5-7,12-13H2,1-4H3,(H,30,38)(H,31,37)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM103274 (US8546389, 189) Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)c3cccc(OC)c3F)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1 Show InChI InChI=1S/C30H31BrFN5O5S/c1-33-30(39)28-23-16-22(18-8-9-18)25(17-24(23)35-37(28)20-12-10-19(31)11-13-20)36(43(3,40)41)15-5-14-34-29(38)21-6-4-7-26(42-2)27(21)32/h4,6-7,10-13,16-18H,5,8-9,14-15H2,1-3H3,(H,33,39)(H,34,38)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM103286 (US8546389, 62) Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)C3CCC3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1 Show InChI InChI=1S/C27H32BrN5O4S/c1-29-27(35)25-22-15-21(17-7-8-17)24(16-23(22)31-33(25)20-11-9-19(28)10-12-20)32(38(2,36)37)14-4-13-30-26(34)18-5-3-6-18/h9-12,15-18H,3-8,13-14H2,1-2H3,(H,29,35)(H,30,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM103271 (US8546389, 177) Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)c3ccnc(OC)c3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1 Show InChI InChI=1S/C29H31BrN6O5S/c1-31-29(38)27-23-16-22(18-5-6-18)25(17-24(23)34-36(27)21-9-7-20(30)8-10-21)35(42(3,39)40)14-4-12-33-28(37)19-11-13-32-26(15-19)41-2/h7-11,13,15-18H,4-6,12,14H2,1-3H3,(H,31,38)(H,33,37)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM103264 (US8546389, 160) Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)c3ccoc3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1 Show InChI InChI=1S/C27H28BrN5O5S/c1-29-27(35)25-22-14-21(17-4-5-17)24(15-23(22)31-33(25)20-8-6-19(28)7-9-20)32(39(2,36)37)12-3-11-30-26(34)18-10-13-38-16-18/h6-10,13-17H,3-5,11-12H2,1-2H3,(H,29,35)(H,30,34)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM103283 (US8546389, 5) Show SMILES CNC(=O)c1n(nc2cc(N(CCCO)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Nc2ccccc2F)cc1 Show InChI InChI=1S/C28H30FN5O4S/c1-30-28(36)27-22-16-21(18-8-9-18)26(33(14-5-15-35)39(2,37)38)17-25(22)32-34(27)20-12-10-19(11-13-20)31-24-7-4-3-6-23(24)29/h3-4,6-7,10-13,16-18,31,35H,5,8-9,14-15H2,1-2H3,(H,30,36)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM103259 (US8546389, 117) Show SMILES CCN(c1cc2nn(c(C(=O)NC)c2cc1C1CC1)-c1ccc(NCC(C)C)cc1)S(C)(=O)=O Show InChI InChI=1S/C25H33N5O3S/c1-6-29(34(5,32)33)23-14-22-21(13-20(23)17-7-8-17)24(25(31)26-4)30(28-22)19-11-9-18(10-12-19)27-15-16(2)3/h9-14,16-17,27H,6-8,15H2,1-5H3,(H,26,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM103263 (US8546389, 156) Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)C(C)C)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1 Show InChI InChI=1S/C26H32BrN5O4S/c1-16(2)25(33)29-12-5-13-31(37(4,35)36)23-15-22-21(14-20(23)17-6-7-17)24(26(34)28-3)32(30-22)19-10-8-18(27)9-11-19/h8-11,14-17H,5-7,12-13H2,1-4H3,(H,28,34)(H,29,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM103287 (US8546389, 95) Show SMILES CNC(=O)c1n(nc2cc(N(CCC3COC(C)(C)OC3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1 Show InChI InChI=1S/C27H33BrN4O5S/c1-27(2)36-15-17(16-37-27)11-12-31(38(4,34)35)24-14-23-22(13-21(24)18-5-6-18)25(26(33)29-3)32(30-23)20-9-7-19(28)8-10-20/h7-10,13-14,17-18H,5-6,11-12,15-16H2,1-4H3,(H,29,33)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM32206 (US8546389, 66) Show SMILES CNC(=O)c1n(nc2cc(N(CCCC(=O)OC)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1 Show InChI InChI=1S/C9H8N2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM32222 (US8546389, 120) Show SMILES CNC(=O)c1n(nc2cc(N(CCCNC(=O)C3CCOC3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C9H8N2O/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H,10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair

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