Compile Data Set for Download or QSAR

Found 190 hits with Last Name = 'di pietro' and Initial = 'a'   

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
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50569927 (CHEMBL4851961) Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCCCOc4cccc5n(CCc6cccc(OC)c6)c6-c7ccccc7C(=O)c6c45)cccc23)c1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Uncompetitive inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki2 for inhibition of mitoxantrone efflux measured after 30 min...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113017 BindingDB Entry DOI: 10.7270/Q2VX0M95
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50569927 (CHEMBL4851961) Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCCCOc4cccc5n(CCc6cccc(OC)c6)c6-c7ccccc7C(=O)c6c45)cccc23)c1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki2 for inhibition of Hoechst33342 efflux measured after 30 mins by FAC...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113017 BindingDB Entry DOI: 10.7270/Q2VX0M95
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50569929 (CHEMBL4876781) Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCCCCCOc4ccc5C(=O)c6c7c(CC(C)CC7=O)n(CCc7ccccc7)c6-c5c4)cccc23)c1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Uncompetitive inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki2 for inhibition of mitoxantrone efflux measured after 30 min...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113017 BindingDB Entry DOI: 10.7270/Q2VX0M95
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50569929 (CHEMBL4876781) Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCCCCCOc4ccc5C(=O)c6c7c(CC(C)CC7=O)n(CCc7ccccc7)c6-c5c4)cccc23)c1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki2 for inhibition of mitoxantrone efflux measured after 30 mins by FAC...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113017 BindingDB Entry DOI: 10.7270/Q2VX0M95
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50569927 (CHEMBL4851961) Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCCCOc4cccc5n(CCc6cccc(OC)c6)c6-c7ccccc7C(=O)c6c45)cccc23)c1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki1 for inhibition of Hoechst33342 efflux measured after 30 mins by FAC...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113017 BindingDB Entry DOI: 10.7270/Q2VX0M95
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50569928 (CHEMBL4875810) Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(O)cccc23)c1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	188	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki1 for inhibition of mitoxantrone efflux measured after 30 mins by FAC...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113017 BindingDB Entry DOI: 10.7270/Q2VX0M95
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50569929 (CHEMBL4876781) Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCCCCCOc4ccc5C(=O)c6c7c(CC(C)CC7=O)n(CCc7ccccc7)c6-c5c4)cccc23)c1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	192	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki1 for inhibition of mitoxantrone efflux measured after 30 mins by FAC...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113017 BindingDB Entry DOI: 10.7270/Q2VX0M95
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50569928 (CHEMBL4875810) Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(O)cccc23)c1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Non-competitive inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki2 for inhibition of mitoxantrone efflux measured after 30 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113017 BindingDB Entry DOI: 10.7270/Q2VX0M95
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50569928 (CHEMBL4875810) Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(O)cccc23)c1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	294	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki2 for inhibition of mitoxantrone efflux measured after 30 mins by FAC...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113017 BindingDB Entry DOI: 10.7270/Q2VX0M95
					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	323	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki1 for inhibition of mitoxantrone efflux measured after 30 mins by FAC...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113017 BindingDB Entry DOI: 10.7270/Q2VX0M95
					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	843	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki2 for inhibition of mitoxantrone efflux measured after 30 mins by FAC...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113017 BindingDB Entry DOI: 10.7270/Q2VX0M95
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50495396 (CHEMBL3110296) Show SMILES COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)c4ccc(OCc5ccc(Br)cc5)cc4o3)c2c1 Show InChI InChI=1S/C28H23BrN2O5/c1-34-20-7-9-24-23(12-20)18(15-31-24)10-11-30-28(33)27-14-25(32)22-8-6-21(13-26(22)36-27)35-16-17-2-4-19(29)5-3-17/h2-9,12-15,31H,10-11,16H2,1H3,(H,30,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	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 human ABCG2 expressed in Sf9 insect cell membranes assessed as inhibition of quercetin-stimulated ATPase activity after 30 mins by colo...				J Med Chem 56: 9849-60 (2013) Article DOI: 10.1021/jm401649j BindingDB Entry DOI: 10.7270/Q2RJ4NF5
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50569927 (CHEMBL4851961) Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCCCOc4cccc5n(CCc6cccc(OC)c6)c6-c7ccccc7C(=O)c6c45)cccc23)c1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ABCG2 transfected in human HEK293 cells assessed as inhibition of mitoxantrone efflux measured after 30 mins by FACS Calibur cyto...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113017 BindingDB Entry DOI: 10.7270/Q2VX0M95
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50569931 (CHEMBL4852670) Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCCCCCOc4cccc5n(CCc6cccc(OC)c6)c6-c7ccccc7C(=O)c6c45)cccc23)c1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ABCG2 transfected in human HEK293 cells assessed as inhibition of mitoxantrone efflux measured after 30 mins by FACS Calibur cyto...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113017 BindingDB Entry DOI: 10.7270/Q2VX0M95
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50569929 (CHEMBL4876781) Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCCCCCOc4ccc5C(=O)c6c7c(CC(C)CC7=O)n(CCc7ccccc7)c6-c5c4)cccc23)c1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ABCG2 transfected in human HEK293 cells assessed as inhibition of mitoxantrone efflux measured after 30 mins by FACS Calibur cyto...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113017 BindingDB Entry DOI: 10.7270/Q2VX0M95
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50569930 (CHEMBL4874743) Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCOc4cccc5n(CCc6cccc(OC)c6)c6-c7ccccc7C(=O)c6c45)cccc23)c1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ABCG2 transfected in human HEK293 cells assessed as inhibition of mitoxantrone efflux measured after 30 mins by FACS Calibur cyto...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113017 BindingDB Entry DOI: 10.7270/Q2VX0M95
					More data for this Ligand-Target Pair
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	50	n/a	n/a	n/a	n/a	n/a	n/a
CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2-mediated mitoxantrone efflux in HEK293 cells by flow cytometry				J Med Chem 55: 966-70 (2012) Article DOI: 10.1021/jm201404w BindingDB Entry DOI: 10.7270/Q2KH0PBT
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50569941 (CHEMBL4861832) Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCOc4ccc5C(=O)c6c7c(CC(C)CC7=O)n(CCc7ccccc7)c6-c5c4)cccc23)c1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ABCG2 transfected in human HEK293 cells assessed as inhibition of mitoxantrone efflux measured after 30 mins by FACS Calibur cyto...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113017 BindingDB Entry DOI: 10.7270/Q2VX0M95
					More data for this Ligand-Target Pair
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	110	n/a	n/a	n/a	n/a	n/a	n/a
CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2-mediated mitoxantrone efflux in HEK293 cells by flow cytometry				J Med Chem 55: 966-70 (2012) Article DOI: 10.1021/jm201404w BindingDB Entry DOI: 10.7270/Q2KH0PBT
					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
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50569942 (CHEMBL4865120) Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCCCOc4ccc5C(=O)c6c7c(CC(C)CC7=O)n(CCc7ccccc7)c6-c5c4)cccc23)c1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ABCG2 transfected in human HEK293 cells assessed as inhibition of mitoxantrone efflux measured after 30 mins by FACS Calibur cyto...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113017 BindingDB Entry DOI: 10.7270/Q2VX0M95
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50379213 (CHEMBL2011290) Show SMILES COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)c4c(OCCc5ccccc5)cccc4o3)c2c1 Show InChI InChI=1S/C29H26N2O5/c1-34-21-10-11-23-22(16-21)20(18-31-23)12-14-30-29(33)27-17-24(32)28-25(8-5-9-26(28)36-27)35-15-13-19-6-3-2-4-7-19/h2-11,16-18,31H,12-15H2,1H3,(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	160	n/a	n/a	n/a	n/a	n/a	n/a
CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2-mediated mitoxantrone efflux in HEK293 cells by flow cytometry				J Med Chem 55: 966-70 (2012) Article DOI: 10.1021/jm201404w BindingDB Entry DOI: 10.7270/Q2KH0PBT
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50379209 (CHEMBL2011282) Show SMILES COc1ccc(CCNC(=O)c2cc(=O)c3c(OCc4ccccc4)cccc3o2)cc1OC Show InChI InChI=1S/C27H25NO6/c1-31-21-12-11-18(15-24(21)32-2)13-14-28-27(30)25-16-20(29)26-22(9-6-10-23(26)34-25)33-17-19-7-4-3-5-8-19/h3-12,15-16H,13-14,17H2,1-2H3,(H,28,30)	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	170	n/a	n/a	n/a	n/a	n/a	n/a
CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2-mediated mitoxantrone efflux in HEK293 cells by flow cytometry				J Med Chem 55: 966-70 (2012) Article DOI: 10.1021/jm201404w BindingDB Entry DOI: 10.7270/Q2KH0PBT
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50386735 (CHEMBL404782) Show SMILES COc1cc(OC)cc(\C=C\C(=O)c2c(O)cc(OC)cc2OC)c1 Show InChI InChI=1S/C19H20O6/c1-22-13-7-12(8-14(9-13)23-2)5-6-16(20)19-17(21)10-15(24-3)11-18(19)25-4/h5-11,21H,1-4H3/b6-5+	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	170	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-mediated mitoxantrone efflux expressed in HEK293 cells after 48 hrs by flow cytometric analysis				J Med Chem 55: 3193-200 (2012) Article DOI: 10.1021/jm2016528 BindingDB Entry DOI: 10.7270/Q2VQ33QD
					More data for this Ligand-Target Pair
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	170	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 human ABCG2 expressed in Sf9 insect cell membranes assessed as inhibition of quercetin-stimulated ATPase activity after 30 mins by colo...				J Med Chem 56: 9849-60 (2013) Article DOI: 10.1021/jm401649j BindingDB Entry DOI: 10.7270/Q2RJ4NF5
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50379208 (CHEMBL2011287) Show SMILES COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)c4c(OCc5ccccc5)cccc4o3)c2c1 Show InChI InChI=1S/C28H24N2O5/c1-33-20-10-11-22-21(14-20)19(16-30-22)12-13-29-28(32)26-15-23(31)27-24(8-5-9-25(27)35-26)34-17-18-6-3-2-4-7-18/h2-11,14-16,30H,12-13,17H2,1H3,(H,29,32)	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	180	n/a	n/a	n/a	n/a	n/a	n/a
CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2-mediated mitoxantrone efflux in HEK293 cells by flow cytometry				J Med Chem 55: 966-70 (2012) Article DOI: 10.1021/jm201404w BindingDB Entry DOI: 10.7270/Q2KH0PBT
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50009160 (CHEMBL3238330) Show SMILES COc1cccc(OC)c1\C=C\C(=O)c1ccc(cc1)C(=O)\C=C\c1c(OC)cccc1OC Show InChI InChI=1S/C28H26O6/c1-31-25-7-5-8-26(32-2)21(25)15-17-23(29)19-11-13-20(14-12-19)24(30)18-16-22-27(33-3)9-6-10-28(22)34-4/h5-18H,1-4H3/b17-15+,18-16+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of human ABCG2 ATPase activity transfected in Sf9 insect cells using quercetin as substrate after 30 mins by colorimetry relative to contr...				J Med Chem 57: 2930-41 (2014) Article DOI: 10.1021/jm401879z BindingDB Entry DOI: 10.7270/Q2Q81FMQ
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50379212 (CHEMBL2011289) Show SMILES COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)c4c(OCc5ccc(C)cc5)cccc4o3)c2c1 Show InChI InChI=1S/C29H26N2O5/c1-18-6-8-19(9-7-18)17-35-25-4-3-5-26-28(25)24(32)15-27(36-26)29(33)30-13-12-20-16-31-23-11-10-21(34-2)14-22(20)23/h3-11,14-16,31H,12-13,17H2,1-2H3,(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	200	n/a	n/a	n/a	n/a	n/a	n/a
CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2-mediated mitoxantrone efflux in HEK293 cells by flow cytometry				J Med Chem 55: 966-70 (2012) Article DOI: 10.1021/jm201404w BindingDB Entry DOI: 10.7270/Q2KH0PBT
					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
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50326928 ((2S,4R)-tert-butyl 4-(benzyloxy)-2-(((S)-6-(benzyl...) Show SMILES CC(C)(C)OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)OCc1ccccc1 |r| Show InChI InChI=1S/C35H51N3O7/c1-34(2,3)44-31(39)30(19-13-14-20-36-32(40)43-25-27-17-11-8-12-18-27)37-22-28-21-29(42-24-26-15-9-7-10-16-26)23-38(28)33(41)45-35(4,5)6/h7-12,15-18,28-30,37H,13-14,19-25H2,1-6H3,(H,36,40)/t28-,29+,30-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
UMR 5086 CNRS Curated by ChEMBL					Assay Description Inhibition of human MDR1 expressed in mouse NIH3T3 cells assessed as inhibition of drug efflux by flow cytometry				J Med Chem 53: 6720-9 (2010) Article DOI: 10.1021/jm100839w BindingDB Entry DOI: 10.7270/Q22N52GS
					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))	BDBM50495401 (CHEMBL3110299) Show SMILES Brc1ccc(COc2cccc3oc(cc(=O)c23)C(=O)NCc2cn(CCc3c[nH]c4ccccc34)nn2)cc1 Show InChI InChI=1S/C30H24BrN5O4/c31-21-10-8-19(9-11-21)18-39-26-6-3-7-27-29(26)25(37)14-28(40-27)30(38)33-16-22-17-36(35-34-22)13-12-20-15-32-24-5-2-1-4-23(20)24/h1-11,14-15,17,32H,12-13,16,18H2,(H,33,38)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	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 human ABCG2 expressed in Sf9 insect cell membranes assessed as inhibition of quercetin-stimulated ATPase activity after 30 mins by colo...				J Med Chem 56: 9849-60 (2013) Article DOI: 10.1021/jm401649j BindingDB Entry DOI: 10.7270/Q2RJ4NF5
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50386736 (CHEMBL406837) Show SMILES COc1cccc(\C=C\C(=O)c2c(O)cc(OC)cc2OC)c1 Show InChI InChI=1S/C18H18O5/c1-21-13-6-4-5-12(9-13)7-8-15(19)18-16(20)10-14(22-2)11-17(18)23-3/h4-11,20H,1-3H3/b8-7+	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	260	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-mediated mitoxantrone efflux expressed in HEK293 cells after 48 hrs by flow cytometric analysis				J Med Chem 55: 3193-200 (2012) Article DOI: 10.1021/jm2016528 BindingDB Entry DOI: 10.7270/Q2VQ33QD
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50009167 (CHEMBL3238340) Show SMILES COc1cc(OC)cc(c1)C(=O)\C=C\c1ccc(\C=C\C(=O)c2cc(OC)cc(OC)c2)cc1 Show InChI InChI=1S/C28H26O6/c1-31-23-13-21(14-24(17-23)32-2)27(29)11-9-19-5-7-20(8-6-19)10-12-28(30)22-15-25(33-3)18-26(16-22)34-4/h5-18H,1-4H3/b11-9+,12-10+	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	270	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of human ABCG2 ATPase activity transfected in Sf9 insect cells using quercetin as substrate after 30 mins by colorimetry relative to contr...				J Med Chem 57: 2930-41 (2014) Article DOI: 10.1021/jm401879z BindingDB Entry DOI: 10.7270/Q2Q81FMQ
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50386738 (CHEMBL1834565) Show SMILES COc1cccc(OC)c1\C=C\C(=O)c1cn(C)c2ccccc12 Show InChI InChI=1S/C20H19NO3/c1-21-13-16(14-7-4-5-8-17(14)21)18(22)12-11-15-19(23-2)9-6-10-20(15)24-3/h4-13H,1-3H3/b12-11+	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	270	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-mediated mitoxantrone efflux expressed in HEK293 cells after 48 hrs by flow cytometric analysis				J Med Chem 55: 3193-200 (2012) Article DOI: 10.1021/jm2016528 BindingDB Entry DOI: 10.7270/Q2VQ33QD
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50495404 (CHEMBL3110289) Show SMILES COc1ccc2c(CCNC(=O)c3cc(=O)c4c(OCc5ccc(Br)cc5)cccc4o3)c[nH]c2c1 Show InChI InChI=1S/C28H23BrN2O5/c1-34-20-9-10-21-18(15-31-22(21)13-20)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	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	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 human ABCG2 expressed in Sf9 insect cell membranes assessed as inhibition of quercetin-stimulated ATPase activity after 30 mins by colo...				J Med Chem 56: 9849-60 (2013) Article DOI: 10.1021/jm401649j BindingDB Entry DOI: 10.7270/Q2RJ4NF5
					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))	BDBM50569935 (CHEMBL4877459) Show SMILES CC1Cc2c(c3C(=O)c4ccc(OCCOc5ccc6C(=O)c7c8c(CC(C)CC8=O)n(CCc8ccccc8)c7-c6c5)cc4-c3n2CCc2ccccc2)C(=O)C1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	319	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ABCG2 transfected in human HEK293 cells assessed as inhibition of mitoxantrone efflux measured after 30 mins by FACS Calibur cyto...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113017 BindingDB Entry DOI: 10.7270/Q2VX0M95
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50371107 (CHEMBL397235) Show SMILES COc1ccc(CCNC(=O)c2cccc3c2[nH]c2ccccc2c3=O)cc1 Show InChI InChI=1S/C23H20N2O3/c1-28-16-11-9-15(10-12-16)13-14-24-23(27)19-7-4-6-18-21(19)25-20-8-3-2-5-17(20)22(18)26/h2-12H,13-14H2,1H3,(H,24,27)(H,25,26)	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	350	n/a	n/a	n/a	n/a	n/a	n/a
UMR 5063 CNRS/Universit£ Joseph Fourier-Grenoble I Curated by ChEMBL					Assay Description Inhibition of ABCG2 expressed in HEK293 cells assessed as mitoxantrone-mediated efflux by flow cytometry				Bioorg Med Chem 15: 2892-7 (2007) Article DOI: 10.1016/j.bmc.2007.02.017 BindingDB Entry DOI: 10.7270/Q2N58N6T
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50386734 (CHEMBL260654) Show SMILES COc1cc(O)c(C(=O)\C=C\c2c(OC)cccc2OC)c(OC)c1 Show InChI InChI=1S/C19H20O6/c1-22-12-10-15(21)19(18(11-12)25-4)14(20)9-8-13-16(23-2)6-5-7-17(13)24-3/h5-11,21H,1-4H3/b9-8+	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	350	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-mediated mitoxantrone efflux expressed in HEK293 cells after 48 hrs by flow cytometric analysis				J Med Chem 55: 3193-200 (2012) Article DOI: 10.1021/jm2016528 BindingDB Entry DOI: 10.7270/Q2VQ33QD
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50386739 (CHEMBL1834568) Show SMILES COc1ccc2n(C)cc(C(=O)\C=C\c3c(OC)cc(OC)cc3OC)c2c1 Show InChI InChI=1S/C22H23NO5/c1-23-13-18(17-10-14(25-2)6-8-19(17)23)20(24)9-7-16-21(27-4)11-15(26-3)12-22(16)28-5/h6-13H,1-5H3/b9-7+	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	350	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-mediated mitoxantrone efflux expressed in HEK293 cells after 48 hrs by flow cytometric analysis				J Med Chem 55: 3193-200 (2012) Article DOI: 10.1021/jm2016528 BindingDB Entry DOI: 10.7270/Q2VQ33QD
					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	380	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 human ABCG2 expressed in Sf9 insect cell membranes assessed as inhibition of quercetin-stimulated ATPase activity after 30 mins by colo...				J Med Chem 56: 9849-60 (2013) Article DOI: 10.1021/jm401649j BindingDB Entry DOI: 10.7270/Q2RJ4NF5
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50569943 (CHEMBL4862787) Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCCCCCCCOc4ccc5C(=O)c6c7c(CC(C)CC7=O)n(CCc7ccccc7)c6-c5c4)cccc23)c1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	389	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ABCG2 transfected in human HEK293 cells assessed as inhibition of mitoxantrone efflux measured after 30 mins by FACS Calibur cyto...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113017 BindingDB Entry DOI: 10.7270/Q2VX0M95
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50206310 (5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cccc5c4[nH]c4c(OC)cccc4c5=O)cc3)Cc2cc1OC Show InChI InChI=1S/C34H33N3O5/c1-40-28-9-5-7-26-32(28)36-31-25(33(26)38)6-4-8-27(31)34(39)35-24-12-10-21(11-13-24)14-16-37-17-15-22-18-29(41-2)30(42-3)19-23(22)20-37/h4-13,18-19H,14-17,20H2,1-3H3,(H,35,39)(H,36,38)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
UMR 5063 CNRS/Universit£ Joseph Fourier-Grenoble I Curated by ChEMBL					Assay Description Inhibition of ABCG2 expressed in HEK293 cells assessed as mitoxantrone-mediated efflux by flow cytometry				Bioorg Med Chem 15: 2892-7 (2007) Article DOI: 10.1016/j.bmc.2007.02.017 BindingDB Entry DOI: 10.7270/Q2N58N6T
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50495398 (CHEMBL3110297) Show SMILES Brc1ccc(COc2cccc3oc(cc(=O)c23)C(=O)NCc2cn(Cc3ccccc3)nn2)cc1 Show InChI InChI=1S/C27H21BrN4O4/c28-20-11-9-19(10-12-20)17-35-23-7-4-8-24-26(23)22(33)13-25(36-24)27(34)29-14-21-16-32(31-30-21)15-18-5-2-1-3-6-18/h1-13,16H,14-15,17H2,(H,29,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 human ABCG2 expressed in Sf9 insect cell membranes assessed as inhibition of quercetin-stimulated ATPase activity after 30 mins by colo...				J Med Chem 56: 9849-60 (2013) Article DOI: 10.1021/jm401649j BindingDB Entry DOI: 10.7270/Q2RJ4NF5
					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))	BDBM50386737 (CHEMBL1834566) Show SMILES COc1cc(OC)c(\C=C\C(=O)c2cn(C)c3ccccc23)c(OC)c1 Show InChI InChI=1S/C21H21NO4/c1-22-13-17(15-7-5-6-8-18(15)22)19(23)10-9-16-20(25-3)11-14(24-2)12-21(16)26-4/h5-13H,1-4H3/b10-9+	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	450	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-mediated mitoxantrone efflux expressed in HEK293 cells after 48 hrs by flow cytometric analysis				J Med Chem 55: 3193-200 (2012) Article DOI: 10.1021/jm2016528 BindingDB Entry DOI: 10.7270/Q2VQ33QD
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50371104 (CHEMBL243167) Show SMILES COc1ccc(CCNC(=O)c2cccc3c2[nH]c2ccccc2c3=O)cc1OC Show InChI InChI=1S/C24H22N2O4/c1-29-20-11-10-15(14-21(20)30-2)12-13-25-24(28)18-8-5-7-17-22(18)26-19-9-4-3-6-16(19)23(17)27/h3-11,14H,12-13H2,1-2H3,(H,25,28)(H,26,27)	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	450	n/a	n/a	n/a	n/a	n/a	n/a
UMR 5063 CNRS/Universit£ Joseph Fourier-Grenoble I Curated by ChEMBL					Assay Description Inhibition of ABCG2 expressed in HEK293 cells assessed as mitoxantrone-mediated efflux by flow cytometry				Bioorg Med Chem 15: 2892-7 (2007) Article DOI: 10.1016/j.bmc.2007.02.017 BindingDB Entry DOI: 10.7270/Q2N58N6T
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50379210 (CHEMBL2011286) Show SMILES COc1ccc(CCNC(=O)c2cc(=O)c3c(OCCc4ccc(OC)c(OC)c4)cccc3o2)cc1OC Show InChI InChI=1S/C30H31NO8/c1-34-22-10-8-19(16-26(22)36-3)12-14-31-30(33)28-18-21(32)29-24(6-5-7-25(29)39-28)38-15-13-20-9-11-23(35-2)27(17-20)37-4/h5-11,16-18H,12-15H2,1-4H3,(H,31,33)	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	470	n/a	n/a	n/a	n/a	n/a	n/a
CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCG2-mediated mitoxantrone efflux in HEK293 cells by flow cytometry				J Med Chem 55: 966-70 (2012) Article DOI: 10.1021/jm201404w BindingDB Entry DOI: 10.7270/Q2KH0PBT
					More data for this Ligand-Target Pair

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