Found 636 hits of ec50 data for polymerid = 4026 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)) | BDBM50277401
(CHEMBL4168440)Show SMILES CSc1cccc(Nc2nc(nc3ccccc23)-c2cccc(c2)[N+]([O-])=O)c1 Show InChI InChI=1S/C21H16N4O2S/c1-28-17-9-5-7-15(13-17)22-21-18-10-2-3-11-19(18)23-20(24-21)14-6-4-8-16(12-14)25(26)27/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 | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Activation 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)) | BDBM50505492
(CHEMBL4584493)Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CCCCOc4ccc(cc4)-c4cc(=O)c5cc(C)ccc5o4)nn3)cc2)c1 Show InChI InChI=1S/C52H49N3O11/c1-35-13-22-47-44(30-35)45(56)32-48(65-47)37-14-18-41(19-15-37)62-24-6-5-10-40-33-55(54-53-40)23-25-60-26-27-61-28-29-63-42-20-16-38(17-21-42)50-51(49(57)43-11-3-4-12-46(43)66-50)64-34-36-8-7-9-39(31-36)52(58)59-2/h3-4,7-9,11-22,30-33H,5-6,10,23-29,34H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description
Inhibition of BCRP in human MCF7/MX100 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay |
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)) | BDBM50505476
(CHEMBL4561302)Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CCCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1 Show InChI InChI=1S/C51H47N3O11/c1-58-51(57)38-13-9-10-35(30-38)34-63-50-48(56)43-15-5-6-16-45(43)65-49(50)37-17-19-40(20-18-37)62-29-28-60-27-26-59-25-23-54-33-39(52-53-54)14-7-8-24-61-41-21-22-42-44(55)32-46(64-47(42)31-41)36-11-3-2-4-12-36/h2-6,9-13,15-22,30-33H,7-8,14,23-29,34H2,1H3 | 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 | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description
Inhibition of BCRP (unknown origin) transfected in HEK293/R2 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay |
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 | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description
Inhibition of BCRP in human MCF7/MX100 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay |
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)) | BDBM50277418
(CHEMBL4159635)Show SMILES COc1ccc(cc1)-c1nc(Nc2ccc(OC)c(OC)c2)c2ccccc2n1 Show InChI InChI=1S/C23H21N3O3/c1-27-17-11-8-15(9-12-17)22-25-19-7-5-4-6-18(19)23(26-22)24-16-10-13-20(28-2)21(14-16)29-3/h4-14H,1-3H3,(H,24,25,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Activation 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)) | BDBM50573319
(CHEMBL4860031)Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CN(CCO)Cc4ccccc4)nn3)cc2)c1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BCRP (unknown origin) transfected in HEK293/R2 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00779
BindingDB Entry DOI: 10.7270/Q2MC93TD |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50505476
(CHEMBL4561302)Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CCCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1 Show InChI InChI=1S/C51H47N3O11/c1-58-51(57)38-13-9-10-35(30-38)34-63-50-48(56)43-15-5-6-16-45(43)65-49(50)37-17-19-40(20-18-37)62-29-28-60-27-26-59-25-23-54-33-39(52-53-54)14-7-8-24-61-41-21-22-42-44(55)32-46(64-47(42)31-41)36-11-3-2-4-12-36/h2-6,9-13,15-22,30-33H,7-8,14,23-29,34H2,1H3 | 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 | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description
Inhibition of BCRP in human MCF7/MX100 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay |
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)) | BDBM50573319
(CHEMBL4860031)Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CN(CCO)Cc4ccccc4)nn3)cc2)c1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BCRP (unknown origin) expressed in MCF7/MX100 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00779
BindingDB Entry DOI: 10.7270/Q2MC93TD |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50505436
(CHEMBL4454217)Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(COCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1 Show InChI InChI=1S/C50H45N3O12/c1-57-50(56)37-11-7-8-34(28-37)32-63-49-47(55)42-12-5-6-13-44(42)65-48(49)36-14-16-39(17-15-36)61-26-24-59-23-22-58-21-20-53-31-38(51-52-53)33-60-25-27-62-40-18-19-41-43(54)30-45(64-46(41)29-40)35-9-3-2-4-10-35/h2-19,28-31H,20-27,32-33H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description
Inhibition of BCRP (unknown origin) transfected in HEK293/R2 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay |
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)) | BDBM50277421
(CHEMBL4172744)Show SMILES [O-][N+](=O)c1cccc(Nc2nc(nc3ccccc23)-c2cccc(c2)[N+]([O-])=O)c1 Show InChI InChI=1S/C20H13N5O4/c26-24(27)15-7-3-5-13(11-15)19-22-18-10-2-1-9-17(18)20(23-19)21-14-6-4-8-16(12-14)25(28)29/h1-12H,(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 | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Activation 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)) | BDBM50505463
(CHEMBL4591134)Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CCCOc4ccc(cc4)-c4cc(=O)c5ccc(F)cc5o4)nn3)cc2)c1 Show InChI InChI=1S/C50H44FN3O11/c1-58-50(57)36-7-4-6-33(28-36)32-63-49-47(56)42-9-2-3-10-44(42)65-48(49)35-13-18-40(19-14-35)62-27-26-60-25-24-59-23-21-54-31-38(52-53-54)8-5-22-61-39-16-11-34(12-17-39)45-30-43(55)41-20-15-37(51)29-46(41)64-45/h2-4,6-7,9-20,28-31H,5,8,21-27,32H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description
Inhibition of BCRP (unknown origin) transfected in HEK293/R2 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay |
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)) | BDBM50505436
(CHEMBL4454217)Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(COCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1 Show InChI InChI=1S/C50H45N3O12/c1-57-50(56)37-11-7-8-34(28-37)32-63-49-47(55)42-12-5-6-13-44(42)65-48(49)36-14-16-39(17-15-36)61-26-24-59-23-22-58-21-20-53-31-38(51-52-53)33-60-25-27-62-40-18-19-41-43(54)30-45(64-46(41)29-40)35-9-3-2-4-10-35/h2-19,28-31H,20-27,32-33H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description
Inhibition of BCRP in human MCF7/MX100 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay |
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)) | BDBM50263281
(CHEMBL4101737)Show InChI InChI=1S/C20H16N4O2/c1-26-16-5-2-4-13(12-16)18-23-19-17(6-3-11-21-19)20(24-18)22-14-7-9-15(25)10-8-14/h2-12,25H,1H3,(H,21,22,23,24) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
Pharmaceutical Institute , University of Bonn , An der Immenburg 4 , 53121 Bonn , Germany.
Curated by ChEMBL
| Assay Description
Activation of recombinant human ABCG2 ATPase activity expressed in baculovirus infected High five insect cell membranes after 20 mins by ascorbic aci... |
J Med Chem 61: 3389-3408 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01012
BindingDB Entry DOI: 10.7270/Q2HM5BXM |
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 | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description
Inhibition of BCRP in human MCF7/MX100 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay |
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 | n/a | n/a | 2.20 | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description
Inhibition of BCRP (unknown origin) transfected in HEK293/R2 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay |
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)) | BDBM50505455
(CHEMBL4442810)Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CN(Cc4cn(CCOCCOc5ccc(cc5)-c5oc6ccccc6c(=O)c5OCc5cccc(c5)C(=O)OC)nn4)c4ccccc4)nn3)cc2)c1 Show InChI InChI=1S/C68H61N7O14/c1-80-67(78)50-14-10-12-46(38-50)44-86-65-61(76)57-18-6-8-20-59(57)88-63(65)48-22-26-55(27-23-48)84-36-34-82-32-30-74-42-52(69-71-74)40-73(54-16-4-3-5-17-54)41-53-43-75(72-70-53)31-33-83-35-37-85-56-28-24-49(25-29-56)64-66(62(77)58-19-7-9-21-60(58)89-64)87-45-47-13-11-15-51(39-47)68(79)81-2/h3-29,38-39,42-43H,30-37,40-41,44-45H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.20 | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description
Inhibition of BCRP in human MCF7/MX100 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay |
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)) | BDBM50505463
(CHEMBL4591134)Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CCCOc4ccc(cc4)-c4cc(=O)c5ccc(F)cc5o4)nn3)cc2)c1 Show InChI InChI=1S/C50H44FN3O11/c1-58-50(57)36-7-4-6-33(28-36)32-63-49-47(56)42-9-2-3-10-44(42)65-48(49)35-13-18-40(19-14-35)62-27-26-60-25-24-59-23-21-54-31-38(52-53-54)8-5-22-61-39-16-11-34(12-17-39)45-30-43(55)41-20-15-37(51)29-46(41)64-45/h2-4,6-7,9-20,28-31H,5,8,21-27,32H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description
Inhibition of BCRP in human MCF7/MX100 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay |
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)) | BDBM50505457
(CHEMBL4592756)Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(nn3)-c3ccc(cc3)-c3cn(CCOCCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4cccc(c4)C(=O)OC)nn3)cc2)c1 Show InChI InChI=1S/C70H64N6O16/c1-81-69(79)53-11-7-9-47(41-53)45-89-67-63(77)57-13-3-5-15-61(57)91-65(67)51-21-25-55(26-22-51)87-39-37-85-35-33-83-31-29-75-43-59(71-73-75)49-17-19-50(20-18-49)60-44-76(74-72-60)30-32-84-34-36-86-38-40-88-56-27-23-52(24-28-56)66-68(64(78)58-14-4-6-16-62(58)92-66)90-46-48-10-8-12-54(42-48)70(80)82-2/h3-28,41-44H,29-40,45-46H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description
Inhibition of BCRP (unknown origin) transfected in HEK293/R2 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay |
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)) | 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 | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description
Inhibition of BCRP in human MCF7/MX100 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay |
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 | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BCRP (unknown origin) transfected in HEK293/R2 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00779
BindingDB Entry DOI: 10.7270/Q2MC93TD |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50505432
(CHEMBL4545977)Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(nn3)-c3cccc(c3)-c3cn(CCOCCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4cccc(c4)C(=O)OC)nn3)cc2)c1 Show InChI InChI=1S/C70H64N6O16/c1-81-69(79)53-14-7-10-47(40-53)45-89-67-63(77)57-16-3-5-18-61(57)91-65(67)49-20-24-55(25-21-49)87-38-36-85-34-32-83-30-28-75-43-59(71-73-75)51-12-9-13-52(42-51)60-44-76(74-72-60)29-31-84-33-35-86-37-39-88-56-26-22-50(23-27-56)66-68(64(78)58-17-4-6-19-62(58)92-66)90-46-48-11-8-15-54(41-48)70(80)82-2/h3-27,40-44H,28-39,45-46H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description
Inhibition of BCRP (unknown origin) transfected in HEK293/R2 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay |
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)) | BDBM50505492
(CHEMBL4584493)Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CCCCOc4ccc(cc4)-c4cc(=O)c5cc(C)ccc5o4)nn3)cc2)c1 Show InChI InChI=1S/C52H49N3O11/c1-35-13-22-47-44(30-35)45(56)32-48(65-47)37-14-18-41(19-15-37)62-24-6-5-10-40-33-55(54-53-40)23-25-60-26-27-61-28-29-63-42-20-16-38(17-21-42)50-51(49(57)43-11-3-4-12-46(43)66-50)64-34-36-8-7-9-39(31-36)52(58)59-2/h3-4,7-9,11-22,30-33H,5-6,10,23-29,34H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description
Inhibition of BCRP (unknown origin) transfected in HEK293/R2 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay |
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)) | BDBM50263280
(CHEMBL4073213)Show SMILES COc1cccc(c1)-c1nc(Nc2ccc(cc2)C#N)c2cccnc2n1 Show InChI InChI=1S/C21H15N5O/c1-27-17-5-2-4-15(12-17)19-25-20-18(6-3-11-23-20)21(26-19)24-16-9-7-14(13-22)8-10-16/h2-12H,1H3,(H,23,24,25,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Pharmaceutical Institute , University of Bonn , An der Immenburg 4 , 53121 Bonn , Germany.
Curated by ChEMBL
| Assay Description
Activation of recombinant human ABCG2 ATPase activity expressed in baculovirus infected High five insect cell membranes after 20 mins by ascorbic aci... |
J Med Chem 61: 3389-3408 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01012
BindingDB Entry DOI: 10.7270/Q2HM5BXM |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50465867
(CHEMBL4291291)Show SMILES Fc1ccc2c(c1)oc(cc2=O)-c1ccc(OCCCc2cn(CCOCCOCCOc3ccc(cc3)-c3cc(=O)c4cc(F)ccc4o3)nn2)cc1 Show InChI InChI=1S/C41H35F2N3O8/c42-29-8-14-38-35(22-29)37(48)25-39(53-38)27-5-11-33(12-6-27)52-21-20-50-19-18-49-17-15-46-26-31(44-45-46)2-1-16-51-32-9-3-28(4-10-32)40-24-36(47)34-13-7-30(43)23-41(34)54-40/h3-14,22-26H,1-2,15-21H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.10 | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description
Inhibition of BCRP (unknown origin) transfected in HEK293/R2 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay |
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)) | BDBM50505443
(CHEMBL4454945)Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CN(Cc4cn(CCOCCOCCOc5ccc(cc5)-c5oc6ccccc6c(=O)c5OCc5cccc(c5)C(=O)OC)nn4)Cc4ccccc4)nn3)cc2)c1 Show InChI InChI=1S/C73H71N7O16/c1-85-72(83)56-16-10-14-52(42-56)49-93-70-66(81)62-18-6-8-20-64(62)95-68(70)54-22-26-60(27-23-54)91-40-38-89-36-34-87-32-30-79-47-58(74-76-79)45-78(44-51-12-4-3-5-13-51)46-59-48-80(77-75-59)31-33-88-35-37-90-39-41-92-61-28-24-55(25-29-61)69-71(67(82)63-19-7-9-21-65(63)96-69)94-50-53-15-11-17-57(43-53)73(84)86-2/h3-29,42-43,47-48H,30-41,44-46,49-50H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description
Inhibition of BCRP (unknown origin) transfected in HEK293/R2 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay |
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)) | 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 | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description
Inhibition of BCRP in human MCF7/MX100 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay |
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)) | BDBM50505466
(CHEMBL4463713)Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1 Show InChI InChI=1S/C50H45N3O11/c1-57-50(56)37-12-7-9-34(29-37)33-62-49-47(55)42-14-5-6-15-44(42)64-48(49)36-16-18-39(19-17-36)61-28-27-59-26-25-58-24-22-53-32-38(51-52-53)13-8-23-60-40-20-21-41-43(54)31-45(63-46(41)30-40)35-10-3-2-4-11-35/h2-7,9-12,14-21,29-32H,8,13,22-28,33H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.5 | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description
Inhibition of BCRP (unknown origin) transfected in HEK293/R2 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay |
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)) | BDBM50444007
(CHEMBL3092485)Show SMILES COc1ccc(cc1OC)-c1nc(Nc2cccc(c2)[N+]([O-])=O)c2ccccc2n1 Show InChI InChI=1S/C22H18N4O4/c1-29-19-11-10-14(12-20(19)30-2)21-24-18-9-4-3-8-17(18)22(25-21)23-15-6-5-7-16(13-15)26(27)28/h3-13H,1-2H3,(H,23,24,25) | 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 | n/a | n/a | 3.5 | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Activation 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)) | BDBM50573312
(CHEMBL4877122)Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CN(C)Cc4ccccc4)nn3)cc2)c1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.5 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BCRP (unknown origin) expressed in MCF7/MX100 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00779
BindingDB Entry DOI: 10.7270/Q2MC93TD |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50505495
(CHEMBL4564209)Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CCCCOc4ccc(cc4)-c4cc(=O)c5cc(C)ccc5o4)nn3)cc2)c1 Show InChI InChI=1S/C50H45N3O10/c1-33-13-22-45-42(28-33)43(54)30-46(62-45)35-14-18-39(19-15-35)59-24-6-5-10-38-31-53(52-51-38)23-25-58-26-27-60-40-20-16-36(17-21-40)48-49(47(55)41-11-3-4-12-44(41)63-48)61-32-34-8-7-9-37(29-34)50(56)57-2/h3-4,7-9,11-22,28-31H,5-6,10,23-27,32H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.60 | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description
Inhibition of BCRP (unknown origin) transfected in HEK293/R2 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay |
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)) | BDBM50505434
(CHEMBL4472194)Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CN(Cc4cn(CCOCCOCCOc5ccc(cc5)-c5oc6ccccc6c(=O)c5OCc5cccc(c5)C(=O)OC)nn4)c4ccccc4)nn3)cc2)c1 Show InChI InChI=1S/C72H69N7O16/c1-84-71(82)54-14-10-12-50(42-54)48-92-69-65(80)61-18-6-8-20-63(61)94-67(69)52-22-26-59(27-23-52)90-40-38-88-36-34-86-32-30-78-46-56(73-75-78)44-77(58-16-4-3-5-17-58)45-57-47-79(76-74-57)31-33-87-35-37-89-39-41-91-60-28-24-53(25-29-60)68-70(66(81)62-19-7-9-21-64(62)95-68)93-49-51-13-11-15-55(43-51)72(83)85-2/h3-29,42-43,46-47H,30-41,44-45,48-49H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.90 | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description
Inhibition of BCRP in human MCF7/MX100 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay |
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)) | BDBM50263278
(CHEMBL4094899)Show SMILES COc1cccc(c1)-c1nc(Nc2cccc(c2)C#N)c2cccnc2n1 Show InChI InChI=1S/C21H15N5O/c1-27-17-8-3-6-15(12-17)19-25-20-18(9-4-10-23-20)21(26-19)24-16-7-2-5-14(11-16)13-22/h2-12H,1H3,(H,23,24,25,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Pharmaceutical Institute , University of Bonn , An der Immenburg 4 , 53121 Bonn , Germany.
Curated by ChEMBL
| Assay Description
Activation of recombinant human ABCG2 ATPase activity expressed in baculovirus infected High five insect cell membranes after 20 mins by ascorbic aci... |
J Med Chem 61: 3389-3408 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01012
BindingDB Entry DOI: 10.7270/Q2HM5BXM |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50263351
(CHEMBL4091528)Show InChI InChI=1S/C20H15FN4O/c1-26-16-5-2-4-13(12-16)18-24-19-17(6-3-11-22-19)20(25-18)23-15-9-7-14(21)8-10-15/h2-12H,1H3,(H,22,23,24,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Pharmaceutical Institute , University of Bonn , An der Immenburg 4 , 53121 Bonn , Germany.
Curated by ChEMBL
| Assay Description
Activation of recombinant human ABCG2 ATPase activity expressed in baculovirus infected High five insect cell membranes after 20 mins by ascorbic aci... |
J Med Chem 61: 3389-3408 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01012
BindingDB Entry DOI: 10.7270/Q2HM5BXM |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50505495
(CHEMBL4564209)Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CCCCOc4ccc(cc4)-c4cc(=O)c5cc(C)ccc5o4)nn3)cc2)c1 Show InChI InChI=1S/C50H45N3O10/c1-33-13-22-45-42(28-33)43(54)30-46(62-45)35-14-18-39(19-15-35)59-24-6-5-10-38-31-53(52-51-38)23-25-58-26-27-60-40-20-16-36(17-21-40)48-49(47(55)41-11-3-4-12-44(41)63-48)61-32-34-8-7-9-37(29-34)50(56)57-2/h3-4,7-9,11-22,28-31H,5-6,10,23-27,32H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description
Inhibition of BCRP in human MCF7/MX100 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay |
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)) | BDBM50277397
(CHEMBL4171304)Show SMILES COc1cccc(c1)-c1nc(Nc2ccc(OC)c(OC)c2)c2ccccc2n1 Show InChI InChI=1S/C23H21N3O3/c1-27-17-8-6-7-15(13-17)22-25-19-10-5-4-9-18(19)23(26-22)24-16-11-12-20(28-2)21(14-16)29-3/h4-14H,1-3H3,(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 | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Activation 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)) | BDBM50277423
(CHEMBL4176228)Show SMILES COc1cccc(c1)-c1nc(Nc2cccc(c2)[N+]([O-])=O)c2ccccc2n1 Show InChI InChI=1S/C21H16N4O3/c1-28-17-9-4-6-14(12-17)20-23-19-11-3-2-10-18(19)21(24-20)22-15-7-5-8-16(13-15)25(26)27/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 | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Activation 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)) | BDBM50263377
(CHEMBL4072298)Show SMILES [O-][N+](=O)c1cccc(Nc2nc(nc3ncccc23)-c2cccnc2)c1 Show InChI InChI=1S/C18H12N6O2/c25-24(26)14-6-1-5-13(10-14)21-18-15-7-3-9-20-17(15)22-16(23-18)12-4-2-8-19-11-12/h1-11H,(H,20,21,22,23) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Pharmaceutical Institute , University of Bonn , An der Immenburg 4 , 53121 Bonn , Germany.
Curated by ChEMBL
| Assay Description
Activation of recombinant human ABCG2 ATPase activity expressed in baculovirus infected High five insect cell membranes after 20 mins by ascorbic aci... |
J Med Chem 61: 3389-3408 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01012
BindingDB Entry DOI: 10.7270/Q2HM5BXM |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50277393
(CHEMBL4160529)Show SMILES COc1ccc(cc1OC)-c1nc(Nc2ccc(Br)c(OC)c2)c2ccccc2n1 Show InChI InChI=1S/C23H20BrN3O3/c1-28-19-11-8-14(12-21(19)30-3)22-26-18-7-5-4-6-16(18)23(27-22)25-15-9-10-17(24)20(13-15)29-2/h4-13H,1-3H3,(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 | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Activation 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)) | BDBM50465867
(CHEMBL4291291)Show SMILES Fc1ccc2c(c1)oc(cc2=O)-c1ccc(OCCCc2cn(CCOCCOCCOc3ccc(cc3)-c3cc(=O)c4cc(F)ccc4o3)nn2)cc1 Show InChI InChI=1S/C41H35F2N3O8/c42-29-8-14-38-35(22-29)37(48)25-39(53-38)27-5-11-33(12-6-27)52-21-20-50-19-18-49-17-15-46-26-31(44-45-46)2-1-16-51-32-9-3-28(4-10-32)40-24-36(47)34-13-7-30(43)23-41(34)54-40/h3-14,22-26H,1-2,15-21H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description
Inhibition of BCRP in human MCF7/MX100 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay |
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)) | BDBM50239295
(CHEMBL4081708)Show InChI InChI=1S/C20H13N5/c21-12-14-7-9-16(10-8-14)23-20-17-5-1-2-6-18(17)24-19(25-20)15-4-3-11-22-13-15/h1-11,13H,(H,23,24,25) | 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 | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Activation of ABCG2 (unknown origin) ATPase activity expressed in baculovirus infected high five cell membranes by ascorbic acid/ammonia molybdate re... |
J Med Chem 60: 4474-4495 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00441
BindingDB Entry DOI: 10.7270/Q2GT5Q9V |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50239327
(CHEMBL4082228)Show SMILES [O-][N+](=O)c1cccc(Nc2nc(nc3ccccc23)-c2ccncc2)c1 Show InChI InChI=1S/C19H13N5O2/c25-24(26)15-5-3-4-14(12-15)21-19-16-6-1-2-7-17(16)22-18(23-19)13-8-10-20-11-9-13/h1-12H,(H,21,22,23) | 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 | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Activation of ABCG2 (unknown origin) ATPase activity expressed in baculovirus infected high five cell membranes by ascorbic acid/ammonia molybdate re... |
J Med Chem 60: 4474-4495 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00441
BindingDB Entry DOI: 10.7270/Q2GT5Q9V |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50505479
(CHEMBL4435733)Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(COCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1 Show InChI InChI=1S/C48H41N3O11/c1-55-48(54)35-11-7-8-32(26-35)30-60-47-45(53)40-12-5-6-13-42(40)62-46(47)34-14-16-37(17-15-34)58-24-22-56-21-20-51-29-36(49-50-51)31-57-23-25-59-38-18-19-39-41(52)28-43(61-44(39)27-38)33-9-3-2-4-10-33/h2-19,26-29H,20-25,30-31H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.10 | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description
Inhibition of BCRP (unknown origin) transfected in HEK293/R2 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay |
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)) | 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 | n/a | n/a | 4.20 | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description
Inhibition of BCRP (unknown origin) transfected in HEK293/R2 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay |
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)) | BDBM50505443
(CHEMBL4454945)Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CN(Cc4cn(CCOCCOCCOc5ccc(cc5)-c5oc6ccccc6c(=O)c5OCc5cccc(c5)C(=O)OC)nn4)Cc4ccccc4)nn3)cc2)c1 Show InChI InChI=1S/C73H71N7O16/c1-85-72(83)56-16-10-14-52(42-56)49-93-70-66(81)62-18-6-8-20-64(62)95-68(70)54-22-26-60(27-23-54)91-40-38-89-36-34-87-32-30-79-47-58(74-76-79)45-78(44-51-12-4-3-5-13-51)46-59-48-80(77-75-59)31-33-88-35-37-90-39-41-92-61-28-24-55(25-29-61)69-71(67(82)63-19-7-9-21-65(63)96-69)94-50-53-15-11-17-57(43-53)73(84)86-2/h3-29,42-43,47-48H,30-41,44-46,49-50H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.30 | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description
Inhibition of BCRP in human MCF7/MX100 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay |
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)) | 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 | n/a | n/a | 4.70 | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Activation 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)) | BDBM50573307
(CHEMBL4857228)Show SMILES [H][C@@]12Cc3c([nH]c4cc(OC)ccc34)[C@H](CC(C)C)N1C[C@H](CCC(=O)OC(C)(C)C)NC2=O |r| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BCRP (unknown origin) expressed in human HEK293/R2 cells assessed as reversal of mitoxantrone resistance after 5 days by MTS/PMS assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00779
BindingDB Entry DOI: 10.7270/Q2MC93TD |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50277404
(CHEMBL4161427)Show SMILES Oc1ccc(Nc2nc(nc3ccccc23)-c2cccc(c2)[N+]([O-])=O)cc1[N+]([O-])=O Show InChI InChI=1S/C20H13N5O5/c26-18-9-8-13(11-17(18)25(29)30)21-20-15-6-1-2-7-16(15)22-19(23-20)12-4-3-5-14(10-12)24(27)28/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 | n/a | n/a | 5 | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Activation 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)) | BDBM50263320
(CHEMBL4074563)Show SMILES [O-][N+](=O)c1ccc(Nc2nc(nc3ncccc23)-c2ccccc2)cc1 Show InChI InChI=1S/C19H13N5O2/c25-24(26)15-10-8-14(9-11-15)21-19-16-7-4-12-20-18(16)22-17(23-19)13-5-2-1-3-6-13/h1-12H,(H,20,21,22,23) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a |
Pharmaceutical Institute , University of Bonn , An der Immenburg 4 , 53121 Bonn , Germany.
Curated by ChEMBL
| Assay Description
Activation of recombinant human ABCG2 ATPase activity expressed in baculovirus infected High five insect cell membranes after 20 mins by ascorbic aci... |
J Med Chem 61: 3389-3408 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01012
BindingDB Entry DOI: 10.7270/Q2HM5BXM |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50505431
(CHEMBL4541502)Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CCCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1 Show InChI InChI=1S/C49H43N3O10/c1-56-49(55)36-13-9-10-33(28-36)32-60-48-46(54)41-15-5-6-16-43(41)62-47(48)35-17-19-38(20-18-35)59-27-26-57-25-23-52-31-37(50-51-52)14-7-8-24-58-39-21-22-40-42(53)30-44(61-45(40)29-39)34-11-3-2-4-12-34/h2-6,9-13,15-22,28-31H,7-8,14,23-27,32H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.20 | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description
Inhibition of BCRP (unknown origin) transfected in HEK293/R2 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay |
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)) | 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 | n/a | n/a | 5.30 | n/a | n/a | n/a | n/a |
Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description
Inhibition of BCRP (unknown origin) transfected in HEK293/R2 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay |
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 | |
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