Found 136 hits with Last Name = 'valdameri' and Initial = 'g' 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)) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114346 BindingDB Entry DOI: 10.7270/Q2PZ5DT3 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50320491
(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)Show InChI InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114346 BindingDB Entry DOI: 10.7270/Q2PZ5DT3 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50322535
(3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N...)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114346 BindingDB Entry DOI: 10.7270/Q2PZ5DT3 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50529175
(CHEMBL4444486)Show SMILES COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)c4c(OCc5ccc(Br)cc5Br)cccc4o3)c2c1 Show InChI InChI=1S/C28H22Br2N2O5/c1-35-19-7-8-22-20(12-19)16(14-32-22)9-10-31-28(34)26-13-23(33)27-24(3-2-4-25(27)37-26)36-15-17-5-6-18(29)11-21(17)30/h2-8,11-14,32H,9-10,15H2,1H3,(H,31,34) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114346 BindingDB Entry DOI: 10.7270/Q2PZ5DT3 |
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)) | BDBM50431381
(FOSTAMATINIB | R-788 Free acid | R-935788 Free aci...)Show SMILES COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)N(COP(O)(O)=O)c4n3)n2)cc(OC)c1OC Show InChI InChI=1S/C23H26FN6O9P/c1-23(2)21(31)30(11-38-40(32,33)34)20-14(39-23)6-7-17(28-20)27-19-13(24)10-25-22(29-19)26-12-8-15(35-3)18(37-5)16(9-12)36-4/h6-10H,11H2,1-5H3,(H2,32,33,34)(H2,25,26,27,28,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114346 BindingDB Entry DOI: 10.7270/Q2PZ5DT3 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50331095
(CHEMBL1289494 | Tivozanib | US10464902, Tivozanib)Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC Show InChI InChI=1S/C22H19ClN4O5/c1-12-8-21(27-32-12)26-22(28)25-16-5-4-13(9-15(16)23)31-18-6-7-24-17-11-20(30-3)19(29-2)10-14(17)18/h4-11H,1-3H3,(H2,25,26,27,28) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114346 BindingDB Entry DOI: 10.7270/Q2PZ5DT3 |
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)) | BDBM50551358
(CHEMBL4786467)Show SMILES COc1ccc(cc1OC)C(=C\c1ccc(s1)N1CCC(O)CC1)\C#N | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114346 BindingDB Entry DOI: 10.7270/Q2PZ5DT3 |
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)) | BDBM5446
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114346 BindingDB Entry DOI: 10.7270/Q2PZ5DT3 |
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)) | BDBM50085526
((E)-3,5,30,40-Tetramethoxystilbene | 4-[(E)-2-(3,5...)Show InChI InChI=1S/C18H20O4/c1-19-15-9-14(10-16(12-15)20-2)6-5-13-7-8-17(21-3)18(11-13)22-4/h5-12H,1-4H3/b6-5+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114346 BindingDB Entry DOI: 10.7270/Q2PZ5DT3 |
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)) | 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)) | 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)) | 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)) | BDBM50267750
(CHEMBL1078685)Show InChI InChI=1S/C13H8N6/c14-8-11-7-10(3-6-16-11)13-17-12(18-19-13)9-1-4-15-5-2-9/h1-7H,(H,17,18,19) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114346 BindingDB Entry DOI: 10.7270/Q2PZ5DT3 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50595124
(CHEBI:49960 | Caprelsa | GNF-PF-2188 | NSC-744325 ...)Show SMILES COc1cc2c(cc1OCC1CCN(C)CC1)[nH]cn\c2=N/c1ccc(Br)cc1F | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114346 BindingDB Entry DOI: 10.7270/Q2PZ5DT3 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50158460
((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)Show InChI InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114346 BindingDB Entry DOI: 10.7270/Q2PZ5DT3 |
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 | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50595122
(CHEMBL5185360) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114346 BindingDB Entry DOI: 10.7270/Q2PZ5DT3 |
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)) | BDBM50203188
(2-((1r,4r)-4-(4-chlorophenyl)cyclohexyl)-3-hydroxy...)Show SMILES Clc1ccc(cc1)[C@H]1CC[C@@H](CC1)C1C(=O)C(=O)c2ccccc2C1=O |r,wU:7.7,wD:10.14,(15.73,-5.45,;14.39,-6.22,;14.39,-7.76,;13.06,-8.53,;11.71,-7.75,;11.71,-6.23,;13.05,-5.45,;10.38,-8.52,;10.38,-10.06,;9.05,-10.83,;7.71,-10.05,;7.71,-8.53,;9.04,-7.76,;6.35,-10.84,;6.35,-12.37,;7.7,-13.16,;5.03,-13.14,;5.03,-14.7,;3.67,-12.36,;2.35,-13.13,;1.02,-12.36,;1.02,-10.81,;2.29,-10.08,;3.66,-10.88,;5.05,-10.07,;5.05,-8.52,)| Show InChI InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,19H,5-8H2/t13-,15-,19? | 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 | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114346 BindingDB Entry DOI: 10.7270/Q2PZ5DT3 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50386736
(CHEMBL406837)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)) | BDBM50386738
(CHEMBL1834565)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)) | BDBM50595119
(6-Prenylchrysin | CHEBI:2161 | CHEMBL163972)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc(cc(=O)c2c1-[#8])-c1ccccc1 | 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 |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114346 BindingDB Entry DOI: 10.7270/Q2PZ5DT3 |
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)) | 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)) | BDBM50029725
(CHEMBL1957192)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 |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114346 BindingDB Entry DOI: 10.7270/Q2PZ5DT3 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50103596
((E)-2-hydroxy-5-((4-(N-pyridin-2-ylsulfamoyl)-phen...)Show SMILES OC(=O)c1cc(ccc1O)\N=N\c1ccc(cc1)S(=O)(=O)Nc1ccccn1 Show InChI InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)/b21-20+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114346 BindingDB Entry DOI: 10.7270/Q2PZ5DT3 |
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 | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM32628
(FTC | Fumitremorgin C)Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])Cc3c([nH]c4cc(OC)ccc34)[C@H](C=C(C)C)N1C2=O |wU:8.9,1.0,wD:22.25,(21.14,-14.06,;22.39,-14.97,;22.72,-13.41,;24.31,-13.24,;24.96,-14.7,;23.78,-15.77,;23.76,-17.37,;25.09,-18.16,;22.36,-18.15,;23.69,-18.93,;22.36,-19.69,;21.03,-20.46,;19.7,-19.69,;18.56,-20.72,;19.18,-22.12,;18.51,-23.56,;19.44,-24.86,;18.81,-26.27,;19.7,-27.52,;21.02,-24.7,;21.66,-23.24,;20.71,-21.96,;19.7,-18.15,;18.36,-17.38,;17.03,-18.15,;15.7,-17.38,;17.03,-19.69,;21.03,-17.38,;21,-15.78,;19.66,-15.02,)| Show InChI InChI=1S/C22H25N3O3/c1-12(2)9-18-20-15(14-7-6-13(28-3)10-16(14)23-20)11-19-21(26)24-8-4-5-17(24)22(27)25(18)19/h6-7,9-10,17-19,23H,4-5,8,11H2,1-3H3/t17-,18-,19-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114346 BindingDB Entry DOI: 10.7270/Q2PZ5DT3 |
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)) | BDBM5447
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114346 BindingDB Entry DOI: 10.7270/Q2PZ5DT3 |
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 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 | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50595121
(CHEMBL4757380) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 940 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114346 BindingDB Entry DOI: 10.7270/Q2PZ5DT3 |
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)) | BDBM50249522
(2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...)Show SMILES CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1 Show InChI InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114346 BindingDB Entry DOI: 10.7270/Q2PZ5DT3 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50362781
(1256580-46-7 | AF802 | Alecensa | Alectinib | CH54...)Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114346 BindingDB Entry DOI: 10.7270/Q2PZ5DT3 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM222178
(Rilpivirine)Show SMILES Cc1cc(\C=C\C#N)cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1 Show InChI InChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114346 BindingDB Entry DOI: 10.7270/Q2PZ5DT3 |
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 | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50595123
(CHEMBL5206067)Show SMILES COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccc(cc1)-c1c2ccc(n2)c(-c2ccc(cc2)-c2c(C(=O)OC)c(C)nc(C)c2C(=O)OC)c2ccc([nH]2)c(-c2ccc(cc2)-c2c(C(=O)OC)c(C)nc(C)c2C(=O)OC)c2ccc(n2)c(-c2ccc(cc2)-c2c(C(=O)OC)c(C)nc(C)c2C(=O)OC)c2ccc1[nH]2 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114346 BindingDB Entry DOI: 10.7270/Q2PZ5DT3 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50140172
(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114346 BindingDB Entry DOI: 10.7270/Q2PZ5DT3 |
More data for this Ligand-Target Pair | |