Found 1655 hits of ic50 for UniProtKB: Q9UNQ0 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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)) | BDBM469269
(US10807985, Compound 44)Show SMILES Cn1cc(cn1)-c1cc2c(ncnn2c1)N1CCN(CC1)c1ncc(cn1)[C@@](C)(N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H27FN10/c1-26(28,20-3-5-22(27)6-4-20)21-13-29-25(30-14-21)36-9-7-35(8-10-36)24-23-11-18(16-37(23)33-17-31-24)19-12-32-34(2)15-19/h3-6,11-17H,7-10,28H2,1-2H3/t26-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114628 BindingDB Entry DOI: 10.7270/Q26114FP |
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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human ABCG2 expressed in baculovirus infected Sf9 cell membrane assessed as inhibition of vanadate sensitive basal ATPase activity afte... |
J Med Chem 59: 6121-35 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00035 BindingDB Entry DOI: 10.7270/Q28K7DK6 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50545548
(CHEMBL4633247)Show SMILES [H][C@@]12Cc3c([nH]c4cc(OC)ccc34)[C@H](CC(C)C)N1C(=O)[C@H](CCOC(=O)C(C)(C)C)NC2=O |r| Show InChI InChI=1S/C26H35N3O5/c1-14(2)11-20-22-17(16-8-7-15(33-6)12-19(16)27-22)13-21-23(30)28-18(24(31)29(20)21)9-10-34-25(32)26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,30)/t18-,20-,21-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitox... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP |
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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Membrane Research Group of the Hungarian Academy of Sciences
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: efflux of Hoechst33342 in BCRP-expressing Sf9 cells |
Mol Pharmacol 65: 1485-95 (2004)
Article DOI: 10.1124/mol.65.6.1485 BindingDB Entry DOI: 10.7270/Q20V8F2J |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | 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 | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitox... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | 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 | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitox... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | 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 | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitox... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50507003
(CHEMBL4469532)Show InChI InChI=1S/C19H13N5/c20-12-13-5-3-6-14(11-13)22-18-15-7-1-2-8-16(15)23-19(24-18)17-9-4-10-21-17/h1-11,21H,(H,22,23,24) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of GFP-fused human ABCG2 expressed in MDCK2 cells assessed as potentiation of mitoxantrone-induced cytotoxicity after 72 hrs by MTT assay |
Eur J Med Chem 161: 506-525 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.026 BindingDB Entry DOI: 10.7270/Q23N26P9 |
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 | 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)) | 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)) | BDBM50505459
(CHEMBL4589907)Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CN(Cc4cn(CCOCCOc5ccc(cc5)-c5oc6ccccc6c(=O)c5OCc5cccc(c5)C(=O)OC)nn4)Cc4ccccc4)nn3)cc2)c1 Show InChI InChI=1S/C69H63N7O14/c1-81-68(79)52-16-10-14-48(38-52)45-87-66-62(77)58-18-6-8-20-60(58)89-64(66)50-22-26-56(27-23-50)85-36-34-83-32-30-75-43-54(70-72-75)41-74(40-47-12-4-3-5-13-47)42-55-44-76(73-71-55)31-33-84-35-37-86-57-28-24-51(25-29-57)65-67(63(78)59-19-7-9-21-61(59)90-65)88-46-49-15-11-17-53(39-49)69(80)82-2/h3-29,38-39,43-44H,30-37,40-42,45-46H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description Inhibition of BCRP (unknown origin) transfected in human HEK293/R2 cells assessed as potentiation of topotecan-induced cytotoxicity measured as topot... |
J Med Chem 62: 8578-8608 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00963 BindingDB Entry DOI: 10.7270/Q28S4T5Q |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50545548
(CHEMBL4633247)Show SMILES [H][C@@]12Cc3c([nH]c4cc(OC)ccc34)[C@H](CC(C)C)N1C(=O)[C@H](CCOC(=O)C(C)(C)C)NC2=O |r| Show InChI InChI=1S/C26H35N3O5/c1-14(2)11-20-22-17(16-8-7-15(33-6)12-19(16)27-22)13-21-23(30)28-18(24(31)29(20)21)9-10-34-25(32)26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,30)/t18-,20-,21-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on topotecan-induced cytotoxicity by measuring topoteca... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50505456
(CHEMBL4440681)Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CCCc4cn(CCOCCOc5ccc(cc5)-c5oc6ccccc6c(=O)c5OCc5cccc(c5)C(=O)OC)nn4)nn3)cc2)c1 Show InChI InChI=1S/C63H58N6O14/c1-74-62(72)46-12-7-10-42(36-46)40-80-60-56(70)52-16-3-5-18-54(52)82-58(60)44-20-24-50(25-21-44)78-34-32-76-30-28-68-38-48(64-66-68)14-9-15-49-39-69(67-65-49)29-31-77-33-35-79-51-26-22-45(23-27-51)59-61(57(71)53-17-4-6-19-55(53)83-59)81-41-43-11-8-13-47(37-43)63(73)75-2/h3-8,10-13,16-27,36-39H,9,14-15,28-35,40-41H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description Inhibition of BCRP (unknown origin) transfected in human HEK293/R2 cells assessed as potentiation of topotecan-induced cytotoxicity measured as topot... |
J Med Chem 62: 8578-8608 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00963 BindingDB Entry DOI: 10.7270/Q28S4T5Q |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | 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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitox... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50505460
(CHEMBL4474920)Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(COCc4cn(CCOCCOc5ccc(cc5)-c5oc6ccccc6c(=O)c5OCc5cccc(c5)C(=O)OC)nn4)nn3)cc2)c1 Show InChI InChI=1S/C62H56N6O15/c1-73-61(71)45-11-7-9-41(33-45)37-80-59-55(69)51-13-3-5-15-53(51)82-57(59)43-17-21-49(22-18-43)78-31-29-75-27-25-67-35-47(63-65-67)39-77-40-48-36-68(66-64-48)26-28-76-30-32-79-50-23-19-44(20-24-50)58-60(56(70)52-14-4-6-16-54(52)83-58)81-38-42-10-8-12-46(34-42)62(72)74-2/h3-24,33-36H,25-32,37-40H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description Inhibition of BCRP (unknown origin) transfected in human HEK293/R2 cells assessed as potentiation of topotecan-induced cytotoxicity measured as topot... |
J Med Chem 62: 8578-8608 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00963 BindingDB Entry DOI: 10.7270/Q28S4T5Q |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50277402
(CHEMBL4170247)Show SMILES [O-][N+](=O)c1cccc(c1)-c1nc(Nc2ccc3OCCOc3c2)c2ccccc2n1 Show InChI InChI=1S/C22H16N4O4/c27-26(28)16-5-3-4-14(12-16)21-24-18-7-2-1-6-17(18)22(25-21)23-15-8-9-19-20(13-15)30-11-10-29-19/h1-9,12-13H,10-11H2,(H,23,24,25) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of ABCG2 ATPase activity (unknown origin) expressed in baculovirus infected high5 cell membranes after 20 mins by ascorbic acid ammonia mo... |
Eur J Med Chem 139: 587-611 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.020 BindingDB Entry DOI: 10.7270/Q2R49T8R |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50368349
(CHEMBL4172752)Show SMILES COc1cccc(c1)-c1nc(Nc2cccc(F)c2)c2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C21H15FN4O3/c1-29-17-7-2-4-13(10-17)20-24-19-9-8-16(26(27)28)12-18(19)21(25-20)23-15-6-3-5-14(22)11-15/h2-12H,1H3,(H,23,24,25) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells preincubated for 30 mins before Hoechst 33342 addition by Hoechst 33342 accu... |
J Med Chem 61: 7952-7976 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01011 BindingDB Entry DOI: 10.7270/Q28C9ZTN |
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
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
The Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description Modulation of BCRP (unknown origin) transfected in human HEK293/R2 cells assessed as potentiation of topotecan-induced cytotoxicity measured as topot... |
J Med Chem 58: 4529-49 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00085 BindingDB Entry DOI: 10.7270/Q2N29ZP5 |
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 | 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)) | 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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description Inhibition of BCRP (unknown origin) transfected in human HEK293/R2 cells assessed as potentiation of topotecan-induced cytotoxicity measured as topot... |
J Med Chem 62: 8578-8608 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00963 BindingDB Entry DOI: 10.7270/Q28S4T5Q |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50505458
(CHEMBL4453052)Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(nn3)-c3cccc(c3)-c3cn(CCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4cccc(c4)C(=O)OC)nn3)cc2)c1 Show InChI InChI=1S/C66H56N6O14/c1-77-65(75)49-14-7-10-43(36-49)41-83-63-59(73)53-16-3-5-18-57(53)85-61(63)45-20-24-51(25-21-45)81-34-32-79-30-28-71-39-55(67-69-71)47-12-9-13-48(38-47)56-40-72(70-68-56)29-31-80-33-35-82-52-26-22-46(23-27-52)62-64(60(74)54-17-4-6-19-58(54)86-62)84-42-44-11-8-15-50(37-44)66(76)78-2/h3-27,36-40H,28-35,41-42H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description Inhibition of BCRP (unknown origin) transfected in human HEK293/R2 cells assessed as potentiation of topotecan-induced cytotoxicity measured as topot... |
J Med Chem 62: 8578-8608 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00963 BindingDB Entry DOI: 10.7270/Q28S4T5Q |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50536032
(CHEMBL4534001)Show SMILES COc1ccc(cc1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H20Cl2N2O2/c1-31-17-9-6-15(7-10-17)25(30)29-13-12-19-18-4-2-3-5-22(18)28-23(19)24(29)16-8-11-20(26)21(27)14-16/h2-11,14,24,28H,12-13H2,1H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human ABCG2 expressed in baculovirus infected Sf9 cell membrane assessed as inhibition of vanadate sensitive basal ATPase activity afte... |
J Med Chem 59: 6121-35 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00035 BindingDB Entry DOI: 10.7270/Q28K7DK6 |
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 | 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)) | 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)) | 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 | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human ABCG2 expressed in baculovirus infected Sf9 cell membrane assessed as inhibition of vanadate sensitive quercetin-stimulated ATPas... |
J Med Chem 59: 6121-35 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00035 BindingDB Entry DOI: 10.7270/Q28K7DK6 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50368395
(CHEMBL4168022)Show SMILES Oc1cccc(Nc2nc(nc3ccc(cc23)[N+]([O-])=O)-c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C21H13F3N4O3/c22-21(23,24)13-4-1-3-12(9-13)19-26-18-8-7-15(28(30)31)11-17(18)20(27-19)25-14-5-2-6-16(29)10-14/h1-11,29H,(H,25,26,27) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells preincubated for 30 mins before Hoechst 33342 addition by Hoechst 33342 accu... |
J Med Chem 61: 7952-7976 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01011 BindingDB Entry DOI: 10.7270/Q28C9ZTN |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50368397
(CHEMBL4163310)Show SMILES COc1cccc(c1)-c1nc(Nc2ccc(cc2)C#N)c2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C22H15N5O3/c1-30-18-4-2-3-15(11-18)21-25-20-10-9-17(27(28)29)12-19(20)22(26-21)24-16-7-5-14(13-23)6-8-16/h2-12H,1H3,(H,24,25,26) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells preincubated for 30 mins before Hoechst 33342 addition by Hoechst 33342 accu... |
J Med Chem 61: 7952-7976 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01011 BindingDB Entry DOI: 10.7270/Q28C9ZTN |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50536024
(CHEMBL4536788)Show SMILES COc1ccc2[nH]c3C(N(CCc3c2c1)C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H20Cl2N2O2/c1-31-17-8-10-22-19(14-17)18-11-12-29(25(30)15-5-3-2-4-6-15)24(23(18)28-22)16-7-9-20(26)21(27)13-16/h2-10,13-14,24,28H,11-12H2,1H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human ABCG2 expressed in baculovirus infected Sf9 cell membrane assessed as inhibition of vanadate sensitive basal ATPase activity afte... |
J Med Chem 59: 6121-35 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00035 BindingDB Entry DOI: 10.7270/Q28K7DK6 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50368309
(CHEMBL4167856)Show SMILES COc1ccc(Nc2nc(nc3ccc(cc23)[N+]([O-])=O)-c2cccc(c2)C(F)(F)F)cc1OC Show InChI InChI=1S/C23H17F3N4O4/c1-33-19-9-6-15(11-20(19)34-2)27-22-17-12-16(30(31)32)7-8-18(17)28-21(29-22)13-4-3-5-14(10-13)23(24,25)26/h3-12H,1-2H3,(H,27,28,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells preincubated for 30 mins before Hoechst 33342 addition by Hoechst 33342 accu... |
J Med Chem 61: 7952-7976 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01011 BindingDB Entry DOI: 10.7270/Q28C9ZTN |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50536030
(CHEMBL4483061)Show SMILES Clc1ccc(cc1Cl)C1N(CCc2c1[nH]c1ccccc21)C(=O)c1ccccc1 Show InChI InChI=1S/C24H18Cl2N2O/c25-19-11-10-16(14-20(19)26)23-22-18(17-8-4-5-9-21(17)27-22)12-13-28(23)24(29)15-6-2-1-3-7-15/h1-11,14,23,27H,12-13H2 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human ABCG2 expressed in baculovirus infected Sf9 cell membrane assessed as inhibition of vanadate sensitive basal ATPase activity afte... |
J Med Chem 59: 6121-35 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00035 BindingDB Entry DOI: 10.7270/Q28K7DK6 |
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 | 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)) | BDBM50368436
(CHEMBL4160408)Show SMILES COc1cccc(Nc2nc(nc3ccc(cc23)[N+]([O-])=O)-c2ccccc2)c1 Show InChI InChI=1S/C21H16N4O3/c1-28-17-9-5-8-15(12-17)22-21-18-13-16(25(26)27)10-11-19(18)23-20(24-21)14-6-3-2-4-7-14/h2-13H,1H3,(H,22,23,24) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells preincubated for 30 mins before Hoechst 33342 addition by Hoechst 33342 accu... |
J Med Chem 61: 7952-7976 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01011 BindingDB Entry DOI: 10.7270/Q28C9ZTN |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50368353
(CHEMBL4166754)Show SMILES Oc1ccc(Nc2nc(nc3ccc(cc23)[N+]([O-])=O)-c2cccc(c2)C(F)(F)F)cc1[N+]([O-])=O Show InChI InChI=1S/C21H12F3N5O5/c22-21(23,24)12-3-1-2-11(8-12)19-26-16-6-5-14(28(31)32)10-15(16)20(27-19)25-13-4-7-18(30)17(9-13)29(33)34/h1-10,30H,(H,25,26,27) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells preincubated for 30 mins before Hoechst 33342 addition by Hoechst 33342 accu... |
J Med Chem 61: 7952-7976 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01011 BindingDB Entry DOI: 10.7270/Q28C9ZTN |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50368333
(CHEMBL4171017)Show SMILES COc1ccc(Nc2nc(nc3ccc(cc23)[N+]([O-])=O)-c2ccccc2)cc1OC Show InChI InChI=1S/C22H18N4O4/c1-29-19-11-8-15(12-20(19)30-2)23-22-17-13-16(26(27)28)9-10-18(17)24-21(25-22)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,23,24,25) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells preincubated for 30 mins before Hoechst 33342 addition by Hoechst 33342 accu... |
J Med Chem 61: 7952-7976 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01011 BindingDB Entry DOI: 10.7270/Q28C9ZTN |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50368398
(CHEMBL4163063)Show SMILES Oc1ccc(Nc2nc(nc3ccc(cc23)[N+]([O-])=O)-c2ccccc2)cc1[N+]([O-])=O Show InChI InChI=1S/C20H13N5O5/c26-18-9-6-13(10-17(18)25(29)30)21-20-15-11-14(24(27)28)7-8-16(15)22-19(23-20)12-4-2-1-3-5-12/h1-11,26H,(H,21,22,23) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells preincubated for 30 mins before Hoechst 33342 addition by Hoechst 33342 accu... |
J Med Chem 61: 7952-7976 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01011 BindingDB Entry DOI: 10.7270/Q28C9ZTN |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50091138
(CHEMBL3582168)Show SMILES COc1cc(OC)c2C[C@H](OC(=O)c3ccc(F)c(NC(=O)c4cc(OC)c(OC)c(OC)c4)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1 |r| Show InChI InChI=1S/C37H38FNO12/c1-42-22-16-26(43-2)23-18-32(33(50-27(23)17-22)20-12-28(44-3)34(48-7)29(13-20)45-4)51-37(41)19-9-10-24(38)25(11-19)39-36(40)21-14-30(46-5)35(49-8)31(15-21)47-6/h9-17,32-33H,18H2,1-8H3,(H,39,40)/t32-,33+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
The Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description Modulation of BCRP (unknown origin) transfected in human HEK293/R2 cells assessed as potentiation of topotecan-induced cytotoxicity measured as topot... |
J Med Chem 58: 4529-49 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00085 BindingDB Entry DOI: 10.7270/Q2N29ZP5 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50536031
(CHEMBL4568473)Show SMILES COc1cccc(c1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H20Cl2N2O2/c1-31-17-6-4-5-16(13-17)25(30)29-12-11-19-18-7-2-3-8-22(18)28-23(19)24(29)15-9-10-20(26)21(27)14-15/h2-10,13-14,24,28H,11-12H2,1H3 | 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 |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human ABCG2 expressed in baculovirus infected Sf9 cell membrane assessed as inhibition of vanadate sensitive basal ATPase activity afte... |
J Med Chem 59: 6121-35 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00035 BindingDB Entry DOI: 10.7270/Q28K7DK6 |
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 | 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)) | 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
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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)) | BDBM50606901
(CHEMBL3394488) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114628 BindingDB Entry DOI: 10.7270/Q26114FP |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | 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 | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on topotecan-induced cytotoxicity by measuring topoteca... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50444023
(CHEMBL3092486)Show SMILES COc1ccc(cc1OC)-c1nc(Nc2ccc(cc2)[N+]([O-])=O)c2ccccc2n1 Show InChI InChI=1S/C22H18N4O4/c1-29-19-12-7-14(13-20(19)30-2)21-24-18-6-4-3-5-17(18)22(25-21)23-15-8-10-16(11-9-15)26(27)28/h3-13H,1-2H3,(H,23,24,25) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human GFP-fused ABCG2 expressed in MDCK2 cells assessed as reduction in Hoechst 33342 efflux preincubated for 30 mins followed by Hoech... |
Eur J Med Chem 139: 587-611 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.020 BindingDB Entry DOI: 10.7270/Q2R49T8R |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | 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 | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on topotecan-induced cytotoxicity by measuring topoteca... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50444023
(CHEMBL3092486)Show SMILES COc1ccc(cc1OC)-c1nc(Nc2ccc(cc2)[N+]([O-])=O)c2ccccc2n1 Show InChI InChI=1S/C22H18N4O4/c1-29-19-12-7-14(13-20(19)30-2)21-24-18-6-4-3-5-17(18)22(25-21)23-15-8-10-16(11-9-15)26(27)28/h3-13H,1-2H3,(H,23,24,25) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human GFP-fused ABCG2 expressed in MDCK2 cells assessed as reduction in Hoechst 33342 efflux preincubated for 30 mins followed by Hoech... |
Eur J Med Chem 139: 587-611 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.020 BindingDB Entry DOI: 10.7270/Q2R49T8R |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50091112
(CHEMBL3582167)Show SMILES COc1cc(OC)c2C[C@H](OC(=O)c3ccc(F)c(NC(=O)c4ccc(OC)c(OC)c4)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1 |r| Show InChI InChI=1S/C36H36FNO11/c1-41-22-16-27(43-3)23-18-32(33(48-28(23)17-22)21-14-30(45-5)34(47-7)31(15-21)46-6)49-36(40)20-8-10-24(37)25(12-20)38-35(39)19-9-11-26(42-2)29(13-19)44-4/h8-17,32-33H,18H2,1-7H3,(H,38,39)/t32-,33+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
The Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description Modulation of BCRP (unknown origin) transfected in human HEK293/R2 cells assessed as potentiation of topotecan-induced cytotoxicity measured as topot... |
J Med Chem 58: 4529-49 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00085 BindingDB Entry DOI: 10.7270/Q2N29ZP5 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50507008
(CHEMBL4470633)Show InChI InChI=1S/C19H12N4S/c20-12-13-5-3-6-14(11-13)21-18-15-7-1-2-8-16(15)22-19(23-18)17-9-4-10-24-17/h1-11H,(H,21,22,23) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of GFP-fused human ABCG2 expressed in MDCK2 cells assessed as potentiation of mitoxantrone-induced cytotoxicity after 72 hrs by MTT assay |
Eur J Med Chem 161: 506-525 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.026 BindingDB Entry DOI: 10.7270/Q23N26P9 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50368434
(CHEMBL4171213)Show SMILES CC(=O)Nc1cccc(Nc2nc(nc3ccc(cc23)[N+]([O-])=O)-c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C23H16F3N5O3/c1-13(32)27-16-6-3-7-17(11-16)28-22-19-12-18(31(33)34)8-9-20(19)29-21(30-22)14-4-2-5-15(10-14)23(24,25)26/h2-12H,1H3,(H,27,32)(H,28,29,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells preincubated for 30 mins before Hoechst 33342 addition by Hoechst 33342 accu... |
J Med Chem 61: 7952-7976 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01011 BindingDB Entry DOI: 10.7270/Q28C9ZTN |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50368450
(CHEMBL4164420)Show SMILES [O-][N+](=O)c1ccc2nc(nc(Nc3cccc(F)c3)c2c1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C21H12F4N4O2/c22-14-5-2-6-15(10-14)26-20-17-11-16(29(30)31)7-8-18(17)27-19(28-20)12-3-1-4-13(9-12)21(23,24)25/h1-11H,(H,26,27,28) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells preincubated for 30 mins before Hoechst 33342 addition by Hoechst 33342 accu... |
J Med Chem 61: 7952-7976 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01011 BindingDB Entry DOI: 10.7270/Q28C9ZTN |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50581481
(CHEMBL5089855)Show SMILES COc1cc(OC)c2C[C@H](OC(=O)c3ccc(F)c(NC(=O)c4cc(OC)c(OC)c(OC)c4)c3)[C@H](Oc2c1)c1ccc(OC)c(OC)c1 |r| | 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
| Assay Description Inhibition of BCRP in HEK293/R2 cells assessed as reversal of topotecan resistance by measuring topotecan IC50 at 1 uM after 5 days by Cell Titer-Glo... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113795 BindingDB Entry DOI: 10.7270/Q2GF0ZDD |
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 | |