Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'götte' 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
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM92703 (Indopy-1) Show SMILES Cn1c2ccccc2c2n(-c3ccc(cc3)N(=O)=O)c(=O)c(cc12)C#N Show InChI InChI=1S/C19H12N4O3/c1-21-16-5-3-2-4-15(16)18-17(21)10-12(11-20)19(24)22(18)13-6-8-14(9-7-13)23(25)26/h2-10H,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	19.7	n/a	n/a	n/a	n/a	7.8	37
McGill University					Assay Description Inhibition assay using HIV-1 reverse transcriptase.				J Biol Chem 283: 29904-11 (2008) Article DOI: 10.1074/jbc.M804882200 BindingDB Entry DOI: 10.7270/Q2222SDK
					More data for this Ligand-Target Pair
NS5B (Hepatitis C virus)	BDBM50183494 (2-[3-({[(2,6-dichlorobenzyl)oxy]carbonyl}amino)-2-...) Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)OCc1c(Cl)cccc1Cl Show InChI InChI=1S/C17H11Cl2N3O6S/c18-8-2-1-3-9(19)7(8)6-28-17(27)20-10-4-5-29-13(10)14-21-11(16(25)26)12(23)15(24)22-14/h1-5,23H,6H2,(H,20,27)(H,25,26)(H,21,22,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	174	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of 50 uM PPi from NS5B in Hepatitis C virus				Antimicrob Agents Chemother 54: 977-83 (2010) Article DOI: 10.1128/AAC.01216-09 BindingDB Entry DOI: 10.7270/Q29P31WH
					More data for this Ligand-Target Pair
NS5B (Hepatitis C virus)	BDBM50183494 (2-[3-({[(2,6-dichlorobenzyl)oxy]carbonyl}amino)-2-...) Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)OCc1c(Cl)cccc1Cl Show InChI InChI=1S/C17H11Cl2N3O6S/c18-8-2-1-3-9(19)7(8)6-28-17(27)20-10-4-5-29-13(10)14-21-11(16(25)26)12(23)15(24)22-14/h1-5,23H,6H2,(H,20,27)(H,25,26)(H,21,22,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	258	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of 0.1 uM UTP from NS5B in Hepatitis C virus				Antimicrob Agents Chemother 54: 977-83 (2010) Article DOI: 10.1128/AAC.01216-09 BindingDB Entry DOI: 10.7270/Q29P31WH
					More data for this Ligand-Target Pair
NS5B (Hepatitis C virus)	BDBM50183494 (2-[3-({[(2,6-dichlorobenzyl)oxy]carbonyl}amino)-2-...) Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)OCc1c(Cl)cccc1Cl Show InChI InChI=1S/C17H11Cl2N3O6S/c18-8-2-1-3-9(19)7(8)6-28-17(27)20-10-4-5-29-13(10)14-21-11(16(25)26)12(23)15(24)22-14/h1-5,23H,6H2,(H,20,27)(H,25,26)(H,21,22,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	302	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of 100 uM PPi from NS5B in Hepatitis C virus				Antimicrob Agents Chemother 54: 977-83 (2010) Article DOI: 10.1128/AAC.01216-09 BindingDB Entry DOI: 10.7270/Q29P31WH
					More data for this Ligand-Target Pair
NS5B (Hepatitis C virus)	BDBM50183494 (2-[3-({[(2,6-dichlorobenzyl)oxy]carbonyl}amino)-2-...) Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)OCc1c(Cl)cccc1Cl Show InChI InChI=1S/C17H11Cl2N3O6S/c18-8-2-1-3-9(19)7(8)6-28-17(27)20-10-4-5-29-13(10)14-21-11(16(25)26)12(23)15(24)22-14/h1-5,23H,6H2,(H,20,27)(H,25,26)(H,21,22,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>500	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of 1 uM UTP from NS5B in Hepatitis C virus				Antimicrob Agents Chemother 54: 977-83 (2010) Article DOI: 10.1128/AAC.01216-09 BindingDB Entry DOI: 10.7270/Q29P31WH
					More data for this Ligand-Target Pair
NS5B (Hepatitis C virus)	BDBM50183494 (2-[3-({[(2,6-dichlorobenzyl)oxy]carbonyl}amino)-2-...) Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)OCc1c(Cl)cccc1Cl Show InChI InChI=1S/C17H11Cl2N3O6S/c18-8-2-1-3-9(19)7(8)6-28-17(27)20-10-4-5-29-13(10)14-21-11(16(25)26)12(23)15(24)22-14/h1-5,23H,6H2,(H,20,27)(H,25,26)(H,21,22,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of NS5B-mediated RNA synthesis in Hepatitis C virus assessed as decrease in formation of full-length product after 45 mins				Antimicrob Agents Chemother 54: 977-83 (2010) Article DOI: 10.1128/AAC.01216-09 BindingDB Entry DOI: 10.7270/Q29P31WH
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM92703 (Indopy-1) Show SMILES Cn1c2ccccc2c2n(-c3ccc(cc3)N(=O)=O)c(=O)c(cc12)C#N Show InChI InChI=1S/C19H12N4O3/c1-21-16-5-3-2-4-15(16)18-17(21)10-12(11-20)19(24)22(18)13-6-8-14(9-7-13)23(25)26/h2-10H,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	843	n/a	n/a	n/a	n/a	7.8	37
McGill University					Assay Description Inhibition assay using HIV-1 reverse transcriptase.				J Biol Chem 283: 29904-11 (2008) Article DOI: 10.1074/jbc.M804882200 BindingDB Entry DOI: 10.7270/Q2222SDK
					More data for this Ligand-Target Pair
NS5B (Hepatitis C virus)	BDBM50183494 (2-[3-({[(2,6-dichlorobenzyl)oxy]carbonyl}amino)-2-...) Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)OCc1c(Cl)cccc1Cl Show InChI InChI=1S/C17H11Cl2N3O6S/c18-8-2-1-3-9(19)7(8)6-28-17(27)20-10-4-5-29-13(10)14-21-11(16(25)26)12(23)15(24)22-14/h1-5,23H,6H2,(H,20,27)(H,25,26)(H,21,22,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	882	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of 500 uM PPi from NS5B in Hepatitis C virus				Antimicrob Agents Chemother 54: 977-83 (2010) Article DOI: 10.1128/AAC.01216-09 BindingDB Entry DOI: 10.7270/Q29P31WH
					More data for this Ligand-Target Pair
NS5B (Hepatitis C virus)	BDBM50183494 (2-[3-({[(2,6-dichlorobenzyl)oxy]carbonyl}amino)-2-...) Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)OCc1c(Cl)cccc1Cl Show InChI InChI=1S/C17H11Cl2N3O6S/c18-8-2-1-3-9(19)7(8)6-28-17(27)20-10-4-5-29-13(10)14-21-11(16(25)26)12(23)15(24)22-14/h1-5,23H,6H2,(H,20,27)(H,25,26)(H,21,22,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of 5 uM UTP from NS5B in Hepatitis C virus				Antimicrob Agents Chemother 54: 977-83 (2010) Article DOI: 10.1128/AAC.01216-09 BindingDB Entry DOI: 10.7270/Q29P31WH
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM92703 (Indopy-1) Show SMILES Cn1c2ccccc2c2n(-c3ccc(cc3)N(=O)=O)c(=O)c(cc12)C#N Show InChI InChI=1S/C19H12N4O3/c1-21-16-5-3-2-4-15(16)18-17(21)10-12(11-20)19(24)22(18)13-6-8-14(9-7-13)23(25)26/h2-10H,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	7.8	37
McGill University					Assay Description Inhibition assay using HIV-1 reverse transcriptase.				J Biol Chem 283: 29904-11 (2008) Article DOI: 10.1074/jbc.M804882200 BindingDB Entry DOI: 10.7270/Q2222SDK
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1029,C879S]/[600-1159,C879S] (Human immunodeficiency virus type 1)	BDBM33045 (2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophe...) Show SMILES NC(=O)c1c(N)sc2CCCCCc12 Show InChI InChI=1S/C10H14N2OS/c11-9(13)8-6-4-2-1-3-5-7(6)14-10(8)12/h1-5,12H2,(H2,11,13)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	8.0	20
National Cancer Institute					Assay Description RNaseH assays were performed using an 18-nucleotide 3-fluorescein-labeled RNA annealed to a complementary 18-nucleotide 5-dabcyl conjugated DNA. The ...				ACS Chem Biol 3: 635-44 (2008) Article DOI: 10.1021/cb8001039 BindingDB Entry DOI: 10.7270/Q29P300F
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [613-1167,R896S,E946D,S1117V]/[618-1043,R896S,E946D] (Human immunodeficiency virus type 2)	BDBM33045 (2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophe...) Show SMILES NC(=O)c1c(N)sc2CCCCCc12 Show InChI InChI=1S/C10H14N2OS/c11-9(13)8-6-4-2-1-3-5-7(6)14-10(8)12/h1-5,12H2,(H2,11,13)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	8.0	20
National Cancer Institute					Assay Description RNaseH assays were performed using an 18-nucleotide 3-fluorescein-labeled RNA annealed to a complementary 18-nucleotide 5-dabcyl conjugated DNA. The ...				ACS Chem Biol 3: 635-44 (2008) Article DOI: 10.1021/cb8001039 BindingDB Entry DOI: 10.7270/Q29P300F
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1029,C879S]/[600-1159,C879S] (Human immunodeficiency virus type 1)	BDBM33963 (vinylogous urea, NSC727448) Show SMILES Cc1sc(NC(=O)c2ccco2)c(C(N)=O)c1C Show InChI InChI=1S/C12H12N2O3S/c1-6-7(2)18-12(9(6)10(13)15)14-11(16)8-4-3-5-17-8/h3-5H,1-2H3,(H2,13,15)(H,14,16)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	8.0	20
National Cancer Institute					Assay Description RNaseH assays were performed using an 18-nucleotide 3-fluorescein-labeled RNA annealed to a complementary 18-nucleotide 5-dabcyl conjugated DNA. The ...				ACS Chem Biol 3: 635-44 (2008) Article DOI: 10.1021/cb8001039 BindingDB Entry DOI: 10.7270/Q29P300F
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [613-1167,R896S,E946D,S1117V]/[618-1043,R896S,E946D] (Human immunodeficiency virus type 2)	BDBM33963 (vinylogous urea, NSC727448) Show SMILES Cc1sc(NC(=O)c2ccco2)c(C(N)=O)c1C Show InChI InChI=1S/C12H12N2O3S/c1-6-7(2)18-12(9(6)10(13)15)14-11(16)8-4-3-5-17-8/h3-5H,1-2H3,(H2,13,15)(H,14,16)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	8.0	20
National Cancer Institute					Assay Description RNaseH assays were performed using an 18-nucleotide 3-fluorescein-labeled RNA annealed to a complementary 18-nucleotide 5-dabcyl conjugated DNA. The ...				ACS Chem Biol 3: 635-44 (2008) Article DOI: 10.1021/cb8001039 BindingDB Entry DOI: 10.7270/Q29P300F
					More data for this Ligand-Target Pair
Ribonuclease H1 (Homo sapiens (Human))	BDBM33045 (2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophe...) Show SMILES NC(=O)c1c(N)sc2CCCCCc12 Show InChI InChI=1S/C10H14N2OS/c11-9(13)8-6-4-2-1-3-5-7(6)14-10(8)12/h1-5,12H2,(H2,11,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	8.0	20
National Cancer Institute					Assay Description RNaseH assays were performed using an 18-nucleotide 3-fluorescein-labeled RNA annealed to a complementary 18-nucleotide 5-dabcyl conjugated DNA. The ...				ACS Chem Biol 3: 635-44 (2008) Article DOI: 10.1021/cb8001039 BindingDB Entry DOI: 10.7270/Q29P300F
					More data for this Ligand-Target Pair
Ribonuclease H1 (Homo sapiens (Human))	BDBM33963 (vinylogous urea, NSC727448) Show SMILES Cc1sc(NC(=O)c2ccco2)c(C(N)=O)c1C Show InChI InChI=1S/C12H12N2O3S/c1-6-7(2)18-12(9(6)10(13)15)14-11(16)8-4-3-5-17-8/h3-5H,1-2H3,(H2,13,15)(H,14,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	8.0	20
National Cancer Institute					Assay Description RNaseH assays were performed using an 18-nucleotide 3-fluorescein-labeled RNA annealed to a complementary 18-nucleotide 5-dabcyl conjugated DNA. The ...				ACS Chem Biol 3: 635-44 (2008) Article DOI: 10.1021/cb8001039 BindingDB Entry DOI: 10.7270/Q29P300F
					More data for this Ligand-Target Pair
Ribonuclease HI (Escherichia coli (strain K12))	BDBM33963 (vinylogous urea, NSC727448) Show SMILES Cc1sc(NC(=O)c2ccco2)c(C(N)=O)c1C Show InChI InChI=1S/C12H12N2O3S/c1-6-7(2)18-12(9(6)10(13)15)14-11(16)8-4-3-5-17-8/h3-5H,1-2H3,(H2,13,15)(H,14,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+4	n/a	n/a	n/a	n/a	8.0	20
National Cancer Institute					Assay Description RNaseH assays were performed using an 18-nucleotide 3-fluorescein-labeled RNA annealed to a complementary 18-nucleotide 5-dabcyl conjugated DNA. The ...				ACS Chem Biol 3: 635-44 (2008) Article DOI: 10.1021/cb8001039 BindingDB Entry DOI: 10.7270/Q29P300F
					More data for this Ligand-Target Pair
Ribonuclease HI (Escherichia coli (strain K12))	BDBM33045 (2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophe...) Show SMILES NC(=O)c1c(N)sc2CCCCCc12 Show InChI InChI=1S/C10H14N2OS/c11-9(13)8-6-4-2-1-3-5-7(6)14-10(8)12/h1-5,12H2,(H2,11,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	8.0	20
National Cancer Institute					Assay Description RNaseH assays were performed using an 18-nucleotide 3-fluorescein-labeled RNA annealed to a complementary 18-nucleotide 5-dabcyl conjugated DNA. The ...				ACS Chem Biol 3: 635-44 (2008) Article DOI: 10.1021/cb8001039 BindingDB Entry DOI: 10.7270/Q29P300F
					More data for this Ligand-Target Pair