Compile Data Set for Download or QSAR

Found 13 hits with Last Name = 'olivier' and Initial = 'nb'   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50428613 (CHEMBL2331747) Show SMILES Cc1cn([C@H]2CCCN(C2)S(=O)(=O)c2ccc(O)c(Oc3cccc(Cl)c3)c2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C22H22ClN3O6S/c1-14-12-26(22(29)24-21(14)28)16-5-3-9-25(13-16)33(30,31)18-7-8-19(27)20(11-18)32-17-6-2-4-15(23)10-17/h2,4,6-8,10-12,16,27H,3,5,9,13H2,1H3,(H,24,28,29)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 23: 169-73 (2012) Article DOI: 10.1016/j.bmcl.2012.10.128 BindingDB Entry DOI: 10.7270/Q22J6D74
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50428613 (CHEMBL2331747) Show SMILES Cc1cn([C@H]2CCCN(C2)S(=O)(=O)c2ccc(O)c(Oc3cccc(Cl)c3)c2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C22H22ClN3O6S/c1-14-12-26(22(29)24-21(14)28)16-5-3-9-25(13-16)33(30,31)18-7-8-19(27)20(11-18)32-17-6-2-4-15(23)10-17/h2,4,6-8,10-12,16,27H,3,5,9,13H2,1H3,(H,24,28,29)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 23: 169-73 (2012) Article DOI: 10.1016/j.bmcl.2012.10.128 BindingDB Entry DOI: 10.7270/Q22J6D74
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50428613 (CHEMBL2331747) Show SMILES Cc1cn([C@H]2CCCN(C2)S(=O)(=O)c2ccc(O)c(Oc3cccc(Cl)c3)c2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C22H22ClN3O6S/c1-14-12-26(22(29)24-21(14)28)16-5-3-9-25(13-16)33(30,31)18-7-8-19(27)20(11-18)32-17-6-2-4-15(23)10-17/h2,4,6-8,10-12,16,27H,3,5,9,13H2,1H3,(H,24,28,29)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 23: 169-73 (2012) Article DOI: 10.1016/j.bmcl.2012.10.128 BindingDB Entry DOI: 10.7270/Q22J6D74
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50428613 (CHEMBL2331747) Show SMILES Cc1cn([C@H]2CCCN(C2)S(=O)(=O)c2ccc(O)c(Oc3cccc(Cl)c3)c2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C22H22ClN3O6S/c1-14-12-26(22(29)24-21(14)28)16-5-3-9-25(13-16)33(30,31)18-7-8-19(27)20(11-18)32-17-6-2-4-15(23)10-17/h2,4,6-8,10-12,16,27H,3,5,9,13H2,1H3,(H,24,28,29)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 23: 169-73 (2012) Article DOI: 10.1016/j.bmcl.2012.10.128 BindingDB Entry DOI: 10.7270/Q22J6D74
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50428613 (CHEMBL2331747) Show SMILES Cc1cn([C@H]2CCCN(C2)S(=O)(=O)c2ccc(O)c(Oc3cccc(Cl)c3)c2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C22H22ClN3O6S/c1-14-12-26(22(29)24-21(14)28)16-5-3-9-25(13-16)33(30,31)18-7-8-19(27)20(11-18)32-17-6-2-4-15(23)10-17/h2,4,6-8,10-12,16,27H,3,5,9,13H2,1H3,(H,24,28,29)/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 23: 169-73 (2012) Article DOI: 10.1016/j.bmcl.2012.10.128 BindingDB Entry DOI: 10.7270/Q22J6D74
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50428613 (CHEMBL2331747) Show SMILES Cc1cn([C@H]2CCCN(C2)S(=O)(=O)c2ccc(O)c(Oc3cccc(Cl)c3)c2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C22H22ClN3O6S/c1-14-12-26(22(29)24-21(14)28)16-5-3-9-25(13-16)33(30,31)18-7-8-19(27)20(11-18)32-17-6-2-4-15(23)10-17/h2,4,6-8,10-12,16,27H,3,5,9,13H2,1H3,(H,24,28,29)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 23: 169-73 (2012) Article DOI: 10.1016/j.bmcl.2012.10.128 BindingDB Entry DOI: 10.7270/Q22J6D74
					More data for this Ligand-Target Pair
Thymidylate kinase (Homo sapiens (Human))	BDBM50398957 (CHEMBL2179281) Show SMILES CCCCC[C@@H](N1CCC[C@@H](C1)n1cc(C)c(=O)[nH]c1=O)c1ccc(C(O)=O)c(Oc2cccc(Br)c2)c1 |r| Show InChI InChI=1S/C29H34BrN3O5/c1-3-4-5-11-25(32-14-7-9-22(18-32)33-17-19(2)27(34)31-29(33)37)20-12-13-24(28(35)36)26(15-20)38-23-10-6-8-21(30)16-23/h6,8,10,12-13,15-17,22,25H,3-5,7,9,11,14,18H2,1-2H3,(H,35,36)(H,31,34,37)/t22-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human thymidylate kinase assessed as effect on ATP production by Escherichia coli DdlA and Malachite green reagent based assay				J Med Chem 55: 10010-21 (2012) Article DOI: 10.1021/jm3011806 BindingDB Entry DOI: 10.7270/Q2BR8T99
					More data for this Ligand-Target Pair
Thymidylate kinase (Homo sapiens (Human))	BDBM50398958 (CHEMBL2179279) Show SMILES CCC(C)(C)C[C@@H](N1CCC[C@@H](C1)n1cc(C)c(=O)[nH]c1=O)c1ccc(C(O)=O)c(Oc2cccc(Cl)c2)c1 |r| Show InChI InChI=1S/C30H36ClN3O5/c1-5-30(3,4)16-25(33-13-7-9-22(18-33)34-17-19(2)27(35)32-29(34)38)20-11-12-24(28(36)37)26(14-20)39-23-10-6-8-21(31)15-23/h6,8,10-12,14-15,17,22,25H,5,7,9,13,16,18H2,1-4H3,(H,36,37)(H,32,35,38)/t22-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human thymidylate kinase assessed as effect on ATP production by Escherichia coli DdlA and Malachite green reagent based assay				J Med Chem 55: 10010-21 (2012) Article DOI: 10.1021/jm3011806 BindingDB Entry DOI: 10.7270/Q2BR8T99
					More data for this Ligand-Target Pair
Thymidylate kinase (Homo sapiens (Human))	BDBM50398959 (CHEMBL2179277) Show SMILES Cc1cn([C@H]2CCCN(C2)[C@H](CC(C)(C)C)c2ccc(C(O)=O)c(Oc3cccc(Br)c3)c2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C29H34BrN3O5/c1-18-16-33(28(37)31-26(18)34)21-8-6-12-32(17-21)24(15-29(2,3)4)19-10-11-23(27(35)36)25(13-19)38-22-9-5-7-20(30)14-22/h5,7,9-11,13-14,16,21,24H,6,8,12,15,17H2,1-4H3,(H,35,36)(H,31,34,37)/t21-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human thymidylate kinase assessed as effect on ATP production by Escherichia coli DdlA and Malachite green reagent based assay				J Med Chem 55: 10010-21 (2012) Article DOI: 10.1021/jm3011806 BindingDB Entry DOI: 10.7270/Q2BR8T99
					More data for this Ligand-Target Pair
Thymidylate kinase (Homo sapiens (Human))	BDBM50398961 (CHEMBL2179269) Show SMILES C[C@@H](N1CCC[C@@H](C1)n1cc(C)c(=O)[nH]c1=O)c1ccc(C(O)=O)c(Oc2cccc(Cl)c2)c1 |r| Show InChI InChI=1S/C25H26ClN3O5/c1-15-13-29(25(33)27-23(15)30)19-6-4-10-28(14-19)16(2)17-8-9-21(24(31)32)22(11-17)34-20-7-3-5-18(26)12-20/h3,5,7-9,11-13,16,19H,4,6,10,14H2,1-2H3,(H,31,32)(H,27,30,33)/t16-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human thymidylate kinase assessed as effect on ATP production by Escherichia coli DdlA and Malachite green reagent based assay				J Med Chem 55: 10010-21 (2012) Article DOI: 10.1021/jm3011806 BindingDB Entry DOI: 10.7270/Q2BR8T99
					More data for this Ligand-Target Pair
Thymidylate kinase (Homo sapiens (Human))	BDBM50398960 (CHEMBL2179273) Show SMILES CCC[C@@H](N1CCC[C@@H](C1)n1cc(C)c(=O)[nH]c1=O)c1ccc(C(O)=O)c(Oc2cccc(Cl)c2)c1 |r| Show InChI InChI=1S/C27H30ClN3O5/c1-3-6-23(30-12-5-8-20(16-30)31-15-17(2)25(32)29-27(31)35)18-10-11-22(26(33)34)24(13-18)36-21-9-4-7-19(28)14-21/h4,7,9-11,13-15,20,23H,3,5-6,8,12,16H2,1-2H3,(H,33,34)(H,29,32,35)/t20-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human thymidylate kinase assessed as effect on ATP production by Escherichia coli DdlA and Malachite green reagent based assay				J Med Chem 55: 10010-21 (2012) Article DOI: 10.1021/jm3011806 BindingDB Entry DOI: 10.7270/Q2BR8T99
					More data for this Ligand-Target Pair
Thymidylate kinase (Homo sapiens (Human))	BDBM50428613 (CHEMBL2331747) Show SMILES Cc1cn([C@H]2CCCN(C2)S(=O)(=O)c2ccc(O)c(Oc3cccc(Cl)c3)c2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C22H22ClN3O6S/c1-14-12-26(22(29)24-21(14)28)16-5-3-9-25(13-16)33(30,31)18-7-8-19(27)20(11-18)32-17-6-2-4-15(23)10-17/h2,4,6-8,10-12,16,27H,3,5,9,13H2,1H3,(H,24,28,29)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human thymidylate kinase				Bioorg Med Chem Lett 23: 169-73 (2012) Article DOI: 10.1016/j.bmcl.2012.10.128 BindingDB Entry DOI: 10.7270/Q22J6D74
					More data for this Ligand-Target Pair
Thymidylate kinase (Homo sapiens (Human))	BDBM50398962 (CHEMBL2179669) Show SMILES Cc1cn([C@H]2CCCN(Cc3ccc(C(O)=O)c(Oc4cccc(c4)C(F)(F)F)c3)C2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C25H24F3N3O5/c1-15-12-31(24(35)29-22(15)32)18-5-3-9-30(14-18)13-16-7-8-20(23(33)34)21(10-16)36-19-6-2-4-17(11-19)25(26,27)28/h2,4,6-8,10-12,18H,3,5,9,13-14H2,1H3,(H,33,34)(H,29,32,35)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human thymidylate kinase assessed as effect on ATP production by Escherichia coli DdlA and Malachite green reagent based assay				J Med Chem 55: 10010-21 (2012) Article DOI: 10.1021/jm3011806 BindingDB Entry DOI: 10.7270/Q2BR8T99
					More data for this Ligand-Target Pair