Compile Data Set for Download or QSAR

Found 53 hits with Last Name = 'guillon' and Initial = 'j'   

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
Aromatase (Homo sapiens (Human))	BDBM8611 (4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...) Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12 Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre d'Etudes et de Recherche sur le Médicament de Normandie Curated by ChEMBL					Assay Description Inhibition constant for human aromatase cytochrome P450 19A1 activity				Bioorg Med Chem Lett 8: 1041-4 (1999) BindingDB Entry DOI: 10.7270/Q2445KM7
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50070095 (3-Phenyl-2-[1-pyridin-4-yl-meth-(Z)-ylidene]-indan...) Show SMILES O=C1\C(=C/c2ccncc2)C(c2ccccc12)c1ccccc1 Show InChI InChI=1S/C21H15NO/c23-21-18-9-5-4-8-17(18)20(16-6-2-1-3-7-16)19(21)14-15-10-12-22-13-11-15/h1-14,20H/b19-14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre d'Etudes et de Recherche sur le Médicament de Normandie Curated by ChEMBL					Assay Description Inhibition constant for human aromatase cytochrome P450 19A1 activity				Bioorg Med Chem Lett 8: 1041-4 (1999) BindingDB Entry DOI: 10.7270/Q2445KM7
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50070097 ((Z)-6-(4-chlorophenyl)-7-(pyridin-4-ylmethylene)-6...) Show SMILES Clc1ccc(cc1)C1Cn2cccc2C(=O)\C1=C/c1ccncc1 Show InChI InChI=1S/C20H15ClN2O/c21-16-5-3-15(4-6-16)18-13-23-11-1-2-19(23)20(24)17(18)12-14-7-9-22-10-8-14/h1-12,18H,13H2/b17-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre d'Etudes et de Recherche sur le Médicament de Normandie Curated by ChEMBL					Assay Description Inhibition constant for human aromatase cytochrome P450 19A1 activity				Bioorg Med Chem Lett 8: 1041-4 (1999) BindingDB Entry DOI: 10.7270/Q2445KM7
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50215414 (CHEMBL1096024 | MR-20814) Show SMILES COc1ccc2C(=O)C(CC3=CCNC=C3)=C(N)c2c1 |c:14,t:10,16| Show InChI InChI=1S/C16H16N2O2/c1-20-11-2-3-12-13(9-11)15(17)14(16(12)19)8-10-4-6-18-7-5-10/h2-6,9,18H,7-8,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre d'Etudes et de Recherche sur le Médicament de Normandie Curated by ChEMBL					Assay Description Inhibition constant for human aromatase cytochrome P450 19A1 activity				Bioorg Med Chem Lett 8: 1041-4 (1999) BindingDB Entry DOI: 10.7270/Q2445KM7
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM15169 (1-{1-[(4-{7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-y...) Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc4[nH]cnc4cc3nc2-c2ccccc2)CC1 Show InChI InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of Akt2 (unknown origin)				Eur J Med Chem 113: 214-27 (2016) Article DOI: 10.1016/j.ejmech.2016.02.047 BindingDB Entry DOI: 10.7270/Q2KD20TJ
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM15169 (1-{1-[(4-{7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-y...) Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc4[nH]cnc4cc3nc2-c2ccccc2)CC1 Show InChI InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of Akt1 (unknown origin)				Eur J Med Chem 113: 214-27 (2016) Article DOI: 10.1016/j.ejmech.2016.02.047 BindingDB Entry DOI: 10.7270/Q2KD20TJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50305083 (3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...) Show SMILES COc1ccc2c3C[C@@H]4N([C@@H](CC(C)C)c3[nH]c2c1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC4=O |r| Show InChI InChI=1S/C26H35N3O5/c1-14(2)11-20-23-17(16-8-7-15(33-6)12-19(16)27-23)13-21-24(31)28-18(25(32)29(20)21)9-10-22(30)34-26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,31)/t18-,20-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50379211 (CHEMBL2011288) Show SMILES COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)c4c(OCc5ccc(Br)cc5)cccc4o3)c2c1 Show InChI InChI=1S/C28H23BrN2O5/c1-34-20-9-10-22-21(13-20)18(15-31-22)11-12-30-28(33)26-14-23(32)27-24(3-2-4-25(27)36-26)35-16-17-5-7-19(29)8-6-17/h2-10,13-15,31H,11-12,16H2,1H3,(H,30,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM8611 (4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...) Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12 Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Centre d'Etudes et de Recherche sur le Médicament de Normandie Curated by ChEMBL					Assay Description Inhibition of human aromatase cytochrome P450 19A1 activity				Bioorg Med Chem Lett 8: 1041-4 (1999) BindingDB Entry DOI: 10.7270/Q2445KM7
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50070097 ((Z)-6-(4-chlorophenyl)-7-(pyridin-4-ylmethylene)-6...) Show SMILES Clc1ccc(cc1)C1Cn2cccc2C(=O)\C1=C/c1ccncc1 Show InChI InChI=1S/C20H15ClN2O/c21-16-5-3-15(4-6-16)18-13-23-11-1-2-19(23)20(24)17(18)12-14-7-9-22-10-8-14/h1-12,18H,13H2/b17-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Centre d'Etudes et de Recherche sur le Médicament de Normandie Curated by ChEMBL					Assay Description Inhibition of human aromatase cytochrome P450 19A1 activity				Bioorg Med Chem Lett 8: 1041-4 (1999) BindingDB Entry DOI: 10.7270/Q2445KM7
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50029743 (CHEMBL3353416) Show SMILES COc1ccccc1CCn1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12 Show InChI InChI=1S/C24H21NO3/c1-28-20-12-5-2-7-15(20)13-14-25-18-10-6-11-19(26)21(18)22-23(25)16-8-3-4-9-17(16)24(22)27/h2-5,7-9,12H,6,10-11,13-14H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50029739 (CHEMBL3353414) Show SMILES CC1Cc2c(c3C(=O)c4ccccc4-c3n2CCc2ccccc2)C(=O)C1 Show InChI InChI=1S/C24H21NO2/c1-15-13-19-21(20(26)14-15)22-23(17-9-5-6-10-18(17)24(22)27)25(19)12-11-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50029744 (CHEMBL3353417) Show SMILES COc1cccc(CCn2c3CCCC(=O)c3c3C(=O)c4ccccc4-c23)c1 Show InChI InChI=1S/C24H21NO3/c1-28-16-7-4-6-15(14-16)12-13-25-19-10-5-11-20(26)21(19)22-23(25)17-8-2-3-9-18(17)24(22)27/h2-4,6-9,14H,5,10-13H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50029725 (CHEMBL1957192) Show SMILES O=C1c2ccccc2-c2c1c1c(CCCC1=O)n2CCc1ccccc1 Show InChI InChI=1S/C23H19NO2/c25-19-12-6-11-18-20(19)21-22(16-9-4-5-10-17(16)23(21)26)24(18)14-13-15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50029742 (CHEMBL3353415) Show SMILES O=C1c2ccccc2-c2c1c1c(CC(CC1=O)c1ccccc1)n2CCc1ccccc1 Show InChI InChI=1S/C29H23NO2/c31-25-18-21(20-11-5-2-6-12-20)17-24-26(25)27-28(22-13-7-8-14-23(22)29(27)32)30(24)16-15-19-9-3-1-4-10-19/h1-14,21H,15-18H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50029900 (CHEMBL3353422) Show SMILES CC(C)n1c2CCC(Cc3ccccc3)(Cc3ccccc3)C(=O)c2c2C(=O)c3ccccc3-c12 Show InChI InChI=1S/C32H29NO2/c1-21(2)33-26-17-18-32(19-22-11-5-3-6-12-22,20-23-13-7-4-8-14-23)31(35)27(26)28-29(33)24-15-9-10-16-25(24)30(28)34/h3-16,21H,17-20H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50029746 (CHEMBL3353418) Show SMILES COc1ccc(CCn2c3CCCC(=O)c3c3C(=O)c4ccccc4-c23)cc1 Show InChI InChI=1S/C24H21NO3/c1-28-16-11-9-15(10-12-16)13-14-25-19-7-4-8-20(26)21(19)22-23(25)17-5-2-3-6-18(17)24(22)27/h2-3,5-6,9-12H,4,7-8,13-14H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50029730 (CHEMBL1957193) Show SMILES O=C1c2ccccc2-c2c1c1c(CCCC1=O)n2CCCc1ccccc1 Show InChI InChI=1S/C24H21NO2/c26-20-14-6-13-19-21(20)22-23(17-11-4-5-12-18(17)24(22)27)25(19)15-7-10-16-8-2-1-3-9-16/h1-5,8-9,11-12H,6-7,10,13-15H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50070095 (3-Phenyl-2-[1-pyridin-4-yl-meth-(Z)-ylidene]-indan...) Show SMILES O=C1\C(=C/c2ccncc2)C(c2ccccc12)c1ccccc1 Show InChI InChI=1S/C21H15NO/c23-21-18-9-5-4-8-17(18)20(16-6-2-1-3-7-16)19(21)14-15-10-12-22-13-11-15/h1-14,20H/b19-14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Centre d'Etudes et de Recherche sur le Médicament de Normandie Curated by ChEMBL					Assay Description Inhibition of human aromatase cytochrome P450 19A1 activity				Bioorg Med Chem Lett 8: 1041-4 (1999) BindingDB Entry DOI: 10.7270/Q2445KM7
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50029735 (CHEMBL1957202) Show SMILES O=C1c2ccccc2-c2c1c1c(CC(CC1=O)c1ccccc1)n2Cc1ccccc1 Show InChI InChI=1S/C28H21NO2/c30-24-16-20(19-11-5-2-6-12-19)15-23-25(24)26-27(21-13-7-8-14-22(21)28(26)31)29(23)17-18-9-3-1-4-10-18/h1-14,20H,15-17H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50029841 (CHEMBL3353420) Show SMILES [#6]-[#6](-[#6])-n1c2-[#6]-[#6]-[#6]-[#6](=O)-c2c2-[#6](=O)-c3cccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c3-c12 Show InChI InChI=1S/C23H25NO3/c1-13(2)11-12-27-18-10-5-7-15-19(18)22-21(23(15)26)20-16(24(22)14(3)4)8-6-9-17(20)25/h5,7,10-11,14H,6,8-9,12H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
RAC-gamma serine/threonine-protein kinase (Homo sapiens (Human))	BDBM15169 (1-{1-[(4-{7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-y...) Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc4[nH]cnc4cc3nc2-c2ccccc2)CC1 Show InChI InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of Akt3 (unknown origin)				Eur J Med Chem 113: 214-27 (2016) Article DOI: 10.1016/j.ejmech.2016.02.047 BindingDB Entry DOI: 10.7270/Q2KD20TJ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50602549 (CHEMBL5183354) Show SMILES COC[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50602549 (CHEMBL5183354) Show SMILES COC[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50602549 (CHEMBL5183354) Show SMILES COC[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50029749 (CHEMBL3353419) Show SMILES [#6]-[#6](-[#6])-n1c2-[#6]-[#6]-[#6]-[#6](=O)-c2c2-[#6](=O)-c3c(cccc3-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])-c12 Show InChI InChI=1S/C23H25NO3/c1-13(2)11-12-27-18-10-5-7-15-19(18)23(26)21-20-16(8-6-9-17(20)25)24(14(3)4)22(15)21/h5,7,10-11,14H,6,8-9,12H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50215414 (CHEMBL1096024 | MR-20814) Show SMILES COc1ccc2C(=O)C(CC3=CCNC=C3)=C(N)c2c1 |c:14,t:10,16| Show InChI InChI=1S/C16H16N2O2/c1-20-11-2-3-12-13(9-11)15(17)14(16(12)19)8-10-4-6-18-7-5-10/h2-6,9,18H,7-8,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centre d'Etudes et de Recherche sur le Médicament de Normandie Curated by ChEMBL					Assay Description Inhibition of human aromatase cytochrome P450 19A1 activity				Bioorg Med Chem Lett 8: 1041-4 (1999) BindingDB Entry DOI: 10.7270/Q2445KM7
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50029731 (CHEMBL3353413) Show SMILES CC(C)n1c2CC(C)CC(=O)c2c2C(=O)c3ccccc3-c12 Show InChI InChI=1S/C19H19NO2/c1-10(2)20-14-8-11(3)9-15(21)16(14)17-18(20)12-6-4-5-7-13(12)19(17)22/h4-7,10-11H,8-9H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50602550 (CHEMBL5177406) Show SMILES CCCCCNC[C@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50602549 (CHEMBL5183354) Show SMILES COC[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50602553 (CHEMBL5204309) Show SMILES CCCCCCCNC[C@@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50602551 (CHEMBL5181317) Show SMILES CCCCCNC[C@@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50377446 ((S,R)-MEFLOQUINE) Show SMILES O[C@@H]([C@@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50377446 ((S,R)-MEFLOQUINE) Show SMILES O[C@@H]([C@@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50151865 (CHEMBL172 | MEFLOQUINE) Show SMILES O[C@H]([C@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50029733 (CHEMBL1957203) Show SMILES CC1Cc2c(c3C(=O)c4ccccc4-c3n2Cc2ccccc2)C(=O)C1 Show InChI InChI=1S/C23H19NO2/c1-14-11-18-20(19(25)12-14)21-22(16-9-5-6-10-17(16)23(21)26)24(18)13-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50602549 (CHEMBL5183354) Show SMILES COC[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50151865 (CHEMBL172 | MEFLOQUINE) Show SMILES O[C@H]([C@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50377446 ((S,R)-MEFLOQUINE) Show SMILES O[C@@H]([C@@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50151865 (CHEMBL172 | MEFLOQUINE) Show SMILES O[C@H]([C@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50029898 (CHEMBL3353421) Show SMILES CC(C)n1c2CCC(C)C(=O)c2c2C(=O)c3ccccc3-c12 Show InChI InChI=1S/C19H19NO2/c1-10(2)20-14-9-8-11(3)18(21)15(14)16-17(20)12-6-4-5-7-13(12)19(16)22/h4-7,10-11H,8-9H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50602552 (CHEMBL5191501) Show SMILES CCCCCCCNC[C@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50029690 (CHEMBL1957191) Show SMILES O=C1c2ccccc2-c2c1c1c(CCCC1=O)n2Cc1ccccc1 Show InChI InChI=1S/C22H17NO2/c24-18-12-6-11-17-19(18)20-21(15-9-4-5-10-16(15)22(20)25)23(17)13-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50151865 (CHEMBL172 | MEFLOQUINE) Show SMILES O[C@H]([C@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50151865 (CHEMBL172 | MEFLOQUINE) Show SMILES O[C@H]([C@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50366114 (CHEMBL1957190) Show SMILES CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12 Show InChI InChI=1S/C18H17NO2/c1-10(2)19-13-8-5-9-14(20)15(13)16-17(19)11-6-3-4-7-12(11)18(16)21/h3-4,6-7,10H,5,8-9H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method				J Med Chem 58: 265-77 (2015) Article DOI: 10.1021/jm500943z BindingDB Entry DOI: 10.7270/Q2V40WST
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50377446 ((S,R)-MEFLOQUINE) Show SMILES O[C@@H]([C@@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50377446 ((S,R)-MEFLOQUINE) Show SMILES O[C@@H]([C@@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM50411865 (CHEMBL261832) Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)NCCCN1CCN(CCCN(Cc2ccc(O)cc2)Cc2ccc(O)cc2)CC1 |c:9| Show InChI InChI=1S/C56H84N4O5/c1-39-21-26-56(28-27-54(7)46(50(56)40(39)2)19-20-48-53(6)24-23-49(65-41(3)61)52(4,5)47(53)22-25-55(48,54)8)51(64)57-29-9-30-58-33-35-59(36-34-58)31-10-32-60(37-42-11-15-44(62)16-12-42)38-43-13-17-45(63)18-14-43/h11-19,39-40,47-50,62-63H,9-10,20-38H2,1-8H3,(H,57,64)/t39-,40+,47+,48-,49+,50+,53+,54-,55-,56+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.25E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul (UFRGS) Curated by ChEMBL					Assay Description Inhibition of beta-hematin formation				Bioorg Med Chem 16: 771-82 (2008) Article DOI: 10.1016/j.bmc.2007.10.031 BindingDB Entry DOI: 10.7270/Q23N24MK
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM22985 (Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...) Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.90E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul (UFRGS) Curated by ChEMBL					Assay Description Inhibition of beta-hematin formation				Bioorg Med Chem 16: 771-82 (2008) Article DOI: 10.1016/j.bmc.2007.10.031 BindingDB Entry DOI: 10.7270/Q23N24MK
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 53 total )  |  Next  |  Last  >>

Jump to: