Found 90 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50007021 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50465868
(CHEMBL4279851)Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCOCCOCCOc3ccc(cc3)-c3cc(=O)c4cc(C)ccc4o3)nn2)cc1 Show InChI InChI=1S/C44H43N3O8/c1-30-6-16-41-37(25-30)39(48)27-43(54-41)32-8-12-35(13-9-32)52-19-4-3-5-34-29-47(46-45-34)18-20-50-21-22-51-23-24-53-36-14-10-33(11-15-36)44-28-40(49)38-26-31(2)7-17-42(38)55-44/h6-17,25-29H,3-5,18-24H2,1-2H3 | 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 | 54 | 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)) | 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)) | BDBM50505438
(CHEMBL4554299)Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C39H33N3O6/c1-26-10-17-36-33(21-26)35(44)24-38(47-36)28-11-13-30(14-12-28)45-19-6-5-9-29-25-42(41-40-29)18-20-46-31-15-16-32-34(43)23-37(48-39(32)22-31)27-7-3-2-4-8-27/h2-4,7-8,10-17,21-25H,5-6,9,18-20H2,1H3 | 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 | 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)) | BDBM50505473
(CHEMBL4294818)Show SMILES O=c1cc(oc2ccccc12)-c1ccc(OCCOCCOCCn2cc(CCCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C42H39N3O8/c46-37-27-41(52-39-12-5-4-11-35(37)39)31-13-15-33(16-14-31)51-25-24-49-23-22-48-21-19-45-29-32(43-44-45)10-6-7-20-50-34-17-18-36-38(47)28-40(53-42(36)26-34)30-8-2-1-3-9-30/h1-5,8-9,11-18,26-29H,6-7,10,19-25H2 | 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 | 47 | 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)) | BDBM50505475
(CHEMBL4290896)Show SMILES Fc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCn2cc(CCCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C40H34FN3O7/c41-29-11-16-37-34(22-29)36(46)25-39(50-37)28-9-12-31(13-10-28)49-21-20-47-19-17-44-26-30(42-43-44)8-4-5-18-48-32-14-15-33-35(45)24-38(51-40(33)23-32)27-6-2-1-3-7-27/h1-3,6-7,9-16,22-26H,4-5,8,17-21H2 | 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 | 43 | 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)) | BDBM50505444
(CHEMBL4287580)Show SMILES O=c1cc(oc2cc(OCCCCc3cn(CCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4ccccc4)nn3)ccc12)-c1ccccc1 Show InChI InChI=1S/C47H41N3O8/c51-41-30-43(34-13-5-2-6-14-34)57-44-29-38(22-23-39(41)44)54-25-10-9-15-36-31-50(49-48-36)24-26-53-27-28-55-37-20-18-35(19-21-37)46-47(56-32-33-11-3-1-4-12-33)45(52)40-16-7-8-17-42(40)58-46/h1-8,11-14,16-23,29-31H,9-10,15,24-28,32H2 | 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 | 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)) | BDBM50505439
(CHEMBL4279882)Show SMILES Fc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(COCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C41H36FN3O9/c42-30-8-13-38-35(22-30)37(47)25-40(53-38)29-6-9-32(10-7-29)51-20-18-49-17-16-48-15-14-45-26-31(43-44-45)27-50-19-21-52-33-11-12-34-36(46)24-39(54-41(34)23-33)28-4-2-1-3-5-28/h1-13,22-26H,14-21,27H2 | 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 | 230 | 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)) | BDBM50505488
(CHEMBL4290129)Show SMILES O=c1cc(oc2cc(OCCOCCOCCn3cc(COCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)ccc12)-c1ccccc1 Show InChI InChI=1S/C41H37N3O9/c45-36-25-38(29-7-3-1-4-8-29)52-40-23-32(11-13-34(36)40)50-21-19-48-18-17-47-16-15-44-27-31(42-43-44)28-49-20-22-51-33-12-14-35-37(46)26-39(53-41(35)24-33)30-9-5-2-6-10-30/h1-14,23-27H,15-22,28H2 | 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 | 145 | 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)) | BDBM50505490
(CHEMBL4279076)Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(CN(Cc3cn(CCOCCOCCOc4ccc(cc4)-c4cc(=O)c5cc(C)ccc5o4)nn3)Cc3ccccc3)nn2)cc1 Show InChI InChI=1S/C57H59N7O10/c1-41-8-18-54-50(32-41)52(65)34-56(73-54)44-10-14-48(15-11-44)71-30-28-69-26-24-67-22-20-63-39-46(58-60-63)37-62(36-43-6-4-3-5-7-43)38-47-40-64(61-59-47)21-23-68-25-27-70-29-31-72-49-16-12-45(13-17-49)57-35-53(66)51-33-42(2)9-19-55(51)74-57/h3-19,32-35,39-40H,20-31,36-38H2,1-2H3 | 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 | 36 | 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)) | BDBM50505484
(CHEMBL4524867)Show SMILES O=c1cc(oc2cc(OCCn3cc(CN(Cc4cn(CCOc5ccc6c(c5)oc(cc6=O)-c5ccccc5)nn4)Cc4ccccc4)nn3)ccc12)-c1ccccc1 Show InChI InChI=1S/C47H39N7O6/c55-42-26-44(34-12-6-2-7-13-34)59-46-24-38(16-18-40(42)46)57-22-20-53-31-36(48-50-53)29-52(28-33-10-4-1-5-11-33)30-37-32-54(51-49-37)21-23-58-39-17-19-41-43(56)27-45(60-47(41)25-39)35-14-8-3-9-15-35/h1-19,24-27,31-32H,20-23,28-30H2 | 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 | 243 | 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)) | BDBM50505448
(CHEMBL4291239)Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(CN(CCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)Cc3ccccc3)nn2)cc1 Show InChI InChI=1S/C49H46N4O8/c1-35-12-19-46-43(28-35)45(55)31-48(60-46)38-13-15-40(16-14-38)59-27-26-57-25-24-56-22-21-53-34-39(50-51-53)33-52(32-36-8-4-2-5-9-36)20-23-58-41-17-18-42-44(54)30-47(61-49(42)29-41)37-10-6-3-7-11-37/h2-19,28-31,34H,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 | 55 | 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)) | BDBM50505486
(CHEMBL4540601)Show SMILES O=c1cc(oc2cc(OCCN(Cc3cn(CCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)Cc3ccccc3)ccc12)-c1ccccc1 Show InChI InChI=1S/C44H36N4O6/c49-39-26-41(32-12-6-2-7-13-32)53-43-24-35(16-18-37(39)43)51-22-20-47(28-31-10-4-1-5-11-31)29-34-30-48(46-45-34)21-23-52-36-17-19-38-40(50)27-42(54-44(38)25-36)33-14-8-3-9-15-33/h1-19,24-27,30H,20-23,28-29H2 | 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 | 190 | 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)) | BDBM50465861
(CHEMBL4286968)Show SMILES O=c1cc(oc2ccccc12)-c1ccc(OCCOCCOCCn2cc(CN(CCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)Cc3ccccc3)nn2)cc1 Show InChI InChI=1S/C48H44N4O8/c53-43-30-47(59-45-14-8-7-13-41(43)45)37-15-17-39(18-16-37)58-28-27-56-26-25-55-23-22-52-34-38(49-50-52)33-51(32-35-9-3-1-4-10-35)21-24-57-40-19-20-42-44(54)31-46(60-48(42)29-40)36-11-5-2-6-12-36/h1-20,29-31,34H,21-28,32-33H2 | 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 | 37 | 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)) | BDBM50505470
(CHEMBL4552416)Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CCCOc4ccc(cc4)-c4cc(=O)c5ccc(F)cc5o4)nn3)cc2)c1 Show InChI InChI=1S/C48H40FN3O10/c1-56-48(55)34-7-4-6-31(26-34)30-60-47-45(54)40-9-2-3-10-42(40)62-46(47)33-13-18-38(19-14-33)59-25-24-57-23-21-52-29-36(50-51-52)8-5-22-58-37-16-11-32(12-17-37)43-28-41(53)39-20-15-35(49)27-44(39)61-43/h2-4,6-7,9-20,26-29H,5,8,21-25,30H2,1H3 | 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 | 9.60 | 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)) | BDBM50465871
(CHEMBL4290503)Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCOCCOCCOc3ccc(cc3)-c3cc(=O)c4cc(F)ccc4o3)nn2)cc1 Show InChI InChI=1S/C43H40FN3O8/c1-29-5-15-40-36(24-29)38(48)26-42(54-40)30-6-11-34(12-7-30)52-18-3-2-4-33-28-47(46-45-33)17-19-50-20-21-51-22-23-53-35-13-8-31(9-14-35)43-27-39(49)37-25-32(44)10-16-41(37)55-43/h5-16,24-28H,2-4,17-23H2,1H3 | 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 | 58 | 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)) | BDBM50505430
(CHEMBL4552591)Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCN(CCOc3ccc(cc3)-c3cc(=O)c4ccccc4o3)Cc3ccccc3)nn2)cc1 Show InChI InChI=1S/C48H44N4O6/c1-34-14-23-46-42(29-34)44(54)31-48(58-46)37-15-19-39(20-16-37)55-27-8-7-11-38-33-52(50-49-38)25-24-51(32-35-9-3-2-4-10-35)26-28-56-40-21-17-36(18-22-40)47-30-43(53)41-12-5-6-13-45(41)57-47/h2-6,9-10,12-23,29-31,33H,7-8,11,24-28,32H2,1H3 | 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 | 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)) | 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)) | BDBM50505435
(CHEMBL4291003)Show SMILES O=c1cc(oc2cc(OCCCCc3cn(CCOCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)ccc12)-c1ccccc1 Show InChI InChI=1S/C40H35N3O7/c44-35-25-37(28-9-3-1-4-10-28)49-39-23-31(14-16-33(35)39)47-19-8-7-13-30-27-43(42-41-30)18-20-46-21-22-48-32-15-17-34-36(45)26-38(50-40(34)24-32)29-11-5-2-6-12-29/h1-6,9-12,14-17,23-27H,7-8,13,18-22H2 | 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 | 34 | 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 | 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)) | BDBM50505440
(CHEMBL4286336)Show SMILES O=c1cc(oc2cc(OCCOCCOCCn3cc(CN(Cc4cn(CCOCCOCCOc5ccc6c(c5)oc(cc6=O)-c5ccccc5)nn4)Cc4ccccc4)nn3)ccc12)-c1ccccc1 Show InChI InChI=1S/C55H55N7O10/c63-50-34-52(42-12-6-2-7-13-42)71-54-32-46(16-18-48(50)54)69-30-28-67-26-24-65-22-20-61-39-44(56-58-61)37-60(36-41-10-4-1-5-11-41)38-45-40-62(59-57-45)21-23-66-25-27-68-29-31-70-47-17-19-49-51(64)35-53(72-55(49)33-47)43-14-8-3-9-15-43/h1-19,32-35,39-40H,20-31,36-38H2 | 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 | 83 | 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)) | BDBM50505441
(CHEMBL4285913)Show SMILES O=c1cc(oc2cc(OCCOCCOCCn3cc(CN(CCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)Cc4ccccc4)nn3)ccc12)-c1ccccc1 Show InChI InChI=1S/C48H44N4O8/c53-43-30-45(36-12-6-2-7-13-36)59-47-28-39(16-18-41(43)47)57-23-20-51(32-35-10-4-1-5-11-35)33-38-34-52(50-49-38)21-22-55-24-25-56-26-27-58-40-17-19-42-44(54)31-46(60-48(42)29-40)37-14-8-3-9-15-37/h1-19,28-31,34H,20-27,32-33H2 | 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 | 54 | 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)) | BDBM50505433
(CHEMBL4461351)Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CN4CCCN(Cc5cn(CCOCCOc6ccc(cc6)-c6oc7ccccc7c(=O)c6OCc6cccc(c6)C(=O)OC)nn5)CC4)nn3)cc2)c1 Show InChI InChI=1S/C67H66N8O14/c1-80-66(78)50-12-7-10-46(38-50)44-86-64-60(76)56-14-3-5-16-58(56)88-62(64)48-18-22-54(23-19-48)84-36-34-82-32-30-74-42-52(68-70-74)40-72-26-9-27-73(29-28-72)41-53-43-75(71-69-53)31-33-83-35-37-85-55-24-20-49(21-25-55)63-65(61(77)57-15-4-6-17-59(57)89-63)87-45-47-11-8-13-51(39-47)67(79)81-2/h3-8,10-25,38-39,42-43H,9,26-37,40-41,44-45H2,1-2H3 | 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 | 108 | 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)) | BDBM50505450
(CHEMBL4458235)Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(nn3)-c3ccc(cc3)-c3cn(CCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4cccc(c4)C(=O)OC)nn3)cc2)c1 Show InChI InChI=1S/C66H56N6O14/c1-77-65(75)49-11-7-9-43(37-49)41-83-63-59(73)53-13-3-5-15-57(53)85-61(63)47-21-25-51(26-22-47)81-35-33-79-31-29-71-39-55(67-69-71)45-17-19-46(20-18-45)56-40-72(70-68-56)30-32-80-34-36-82-52-27-23-48(24-28-52)62-64(60(74)54-14-4-6-16-58(54)86-62)84-42-44-10-8-12-50(38-44)66(76)78-2/h3-28,37-40H,29-36,41-42H2,1-2H3 | 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 | 14 | 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)) | BDBM50505449
(CHEMBL4286293)Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(CCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C42H39N3O8/c1-29-9-16-39-36(24-29)38(47)27-41(52-39)31-10-12-33(13-11-31)51-23-22-49-21-20-48-19-17-45-28-32(43-44-45)8-5-18-50-34-14-15-35-37(46)26-40(53-42(35)25-34)30-6-3-2-4-7-30/h2-4,6-7,9-16,24-28H,5,8,17-23H2,1H3 | 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 | 35 | 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)) | 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)) | BDBM50505452
(CHEMBL4472499)Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CN(C)CCN(C)Cc4cn(CCOCCOc5ccc(cc5)-c5oc6ccccc6c(=O)c5OCc5cccc(c5)C(=O)OC)nn4)nn3)cc2)c1 Show InChI InChI=1S/C66H66N8O14/c1-71(39-51-41-73(69-67-51)29-31-81-33-35-83-53-23-19-47(20-24-53)61-63(59(75)55-15-5-7-17-57(55)87-61)85-43-45-11-9-13-49(37-45)65(77)79-3)27-28-72(2)40-52-42-74(70-68-52)30-32-82-34-36-84-54-25-21-48(22-26-54)62-64(60(76)56-16-6-8-18-58(56)88-62)86-44-46-12-10-14-50(38-46)66(78)80-4/h5-26,37-38,41-42H,27-36,39-40,43-44H2,1-4H3 | 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 | 133 | 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)) | BDBM50505453
(CHEMBL4562154)Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CN4CCN(Cc5cn(CCOCCOc6ccc(cc6)-c6oc7ccccc7c(=O)c6OCc6cccc(c6)C(=O)OC)nn5)CC4)nn3)cc2)c1 Show InChI InChI=1S/C66H64N8O14/c1-79-65(77)49-11-7-9-45(37-49)43-85-63-59(75)55-13-3-5-15-57(55)87-61(63)47-17-21-53(22-18-47)83-35-33-81-31-29-73-41-51(67-69-73)39-71-25-27-72(28-26-71)40-52-42-74(70-68-52)30-32-82-34-36-84-54-23-19-48(20-24-54)62-64(60(76)56-14-4-6-16-58(56)88-62)86-44-46-10-8-12-50(38-46)66(78)80-2/h3-24,37-38,41-42H,25-36,39-40,43-44H2,1-2H3 | 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 | 18 | 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)) | BDBM50505454
(CHEMBL4590385)Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CN(Cc4cn(CCOCCOc5ccc(cc5)-c5oc6ccccc6c(=O)c5OCc5cccc(c5)C(=O)OC)nn4)Cc4ccncc4)nn3)cc2)c1 Show InChI InChI=1S/C68H62N8O14/c1-81-67(79)51-11-7-9-47(37-51)44-87-65-61(77)57-13-3-5-15-59(57)89-63(65)49-17-21-55(22-18-49)85-35-33-83-31-29-75-42-53(70-72-75)40-74(39-46-25-27-69-28-26-46)41-54-43-76(73-71-54)30-32-84-34-36-86-56-23-19-50(20-24-56)64-66(62(78)58-14-4-6-16-60(58)90-64)88-45-48-10-8-12-52(38-48)68(80)82-2/h3-28,37-38,42-43H,29-36,39-41,44-45H2,1-2H3 | 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 | 49 | 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 | 6.80 | 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)) | 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 | 6.10 | 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)) | 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)) | 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)) | BDBM50465863
(CHEMBL4290127)Show SMILES O=c1cc(oc2ccccc12)-c1ccc(OCCOCCn2cc(CCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C39H33N3O7/c43-34-24-38(48-36-11-5-4-10-32(34)36)28-12-14-30(15-13-28)47-22-21-45-20-18-42-26-29(40-41-42)9-6-19-46-31-16-17-33-35(44)25-37(49-39(33)23-31)27-7-2-1-3-8-27/h1-5,7-8,10-17,23-26H,6,9,18-22H2 | 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 | 67 | 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)) | BDBM50505461
(CHEMBL4281841)Show SMILES O=c1cc(oc2ccccc12)-c1ccc(OCCOCCOCCn2cc(CCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C41H37N3O8/c45-36-26-40(51-38-11-5-4-10-34(36)38)30-12-14-32(15-13-30)50-24-23-48-22-21-47-20-18-44-28-31(42-43-44)9-6-19-49-33-16-17-35-37(46)27-39(52-41(35)25-33)29-7-2-1-3-8-29/h1-5,7-8,10-17,25-28H,6,9,18-24H2 | 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 | 52 | 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)) | BDBM50505462
(CHEMBL4560641)Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1 Show InChI InChI=1S/C48H41N3O10/c1-55-48(54)35-12-7-9-32(27-35)31-59-47-45(53)40-14-5-6-15-42(40)61-46(47)34-16-18-37(19-17-34)58-26-25-56-24-22-51-30-36(49-50-51)13-8-23-57-38-20-21-39-41(52)29-43(60-44(39)28-38)33-10-3-2-4-11-33/h2-7,9-12,14-21,27-30H,8,13,22-26,31H2,1H3 | 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 | 7.20 | 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)) | BDBM50465864
(CHEMBL4282910)Show SMILES O=c1cc(oc2cc(OCCCc3cn(CCOCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)ccc12)-c1ccccc1 Show InChI InChI=1S/C39H33N3O7/c43-34-24-36(27-8-3-1-4-9-27)48-38-22-30(13-15-32(34)38)46-18-7-12-29-26-42(41-40-29)17-19-45-20-21-47-31-14-16-33-35(44)25-37(49-39(33)23-31)28-10-5-2-6-11-28/h1-6,8-11,13-16,22-26H,7,12,17-21H2 | 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 | 42 | 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)) | BDBM50465857
(CHEMBL4279545)Show SMILES Fc1ccc2c(c1)oc(cc2=O)-c1ccc(OCCCc2cn(CCOCCOc3ccc(cc3)-c3cc(=O)c4ccccc4o3)nn2)cc1 Show InChI InChI=1S/C39H32FN3O7/c40-28-11-16-33-35(45)24-38(50-39(33)22-28)27-7-12-30(13-8-27)47-18-3-4-29-25-43(42-41-29)17-19-46-20-21-48-31-14-9-26(10-15-31)37-23-34(44)32-5-1-2-6-36(32)49-37/h1-2,5-16,22-25H,3-4,17-21H2 | 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 | 7.20 | 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)) | BDBM50465872
(CHEMBL4287881)Show SMILES Fc1ccc2c(c1)oc(cc2=O)-c1ccc(OCCCc2cn(CCOCCOCCOc3ccc(cc3)-c3cc(=O)c4ccccc4o3)nn2)cc1 Show InChI InChI=1S/C41H36FN3O8/c42-30-11-16-35-37(47)26-40(53-41(35)24-30)29-7-12-32(13-8-29)50-18-3-4-31-27-45(44-43-31)17-19-48-20-21-49-22-23-51-33-14-9-28(10-15-33)39-25-36(46)34-5-1-2-6-38(34)52-39/h1-2,5-16,24-27H,3-4,17-23H2 | 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 | 24 | 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)) | BDBM50465866
(CHEMBL4283444)Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(CCCOc3ccc(cc3)-c3cc(=O)c4ccc(F)cc4o3)nn2)cc1 Show InChI InChI=1S/C42H38FN3O8/c1-28-4-15-39-36(23-28)38(48)26-40(53-39)29-7-12-34(13-8-29)52-22-21-50-20-19-49-18-16-46-27-32(44-45-46)3-2-17-51-33-10-5-30(6-11-33)41-25-37(47)35-14-9-31(43)24-42(35)54-41/h4-15,23-27H,2-3,16-22H2,1H3 | 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 | 14 | 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)) | 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)) | BDBM50465870
(CHEMBL4286793)Show SMILES Fc1ccc2c(c1)oc(cc2=O)-c1ccc(OCCCc2cn(CCOCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C39H32FN3O7/c40-28-10-14-32-34(44)24-37(49-38(32)21-28)27-8-11-30(12-9-27)47-17-4-7-29-25-43(42-41-29)16-18-46-19-20-48-31-13-15-33-35(45)23-36(50-39(33)22-31)26-5-2-1-3-6-26/h1-3,5-6,8-15,21-25H,4,7,16-20H2 | 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 | 6.40 | 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)) | BDBM50505464
(CHEMBL4287086)Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCOCCOCCOc3ccc(cc3)-c3cc(=O)c4ccccc4o3)nn2)cc1 Show InChI InChI=1S/C43H41N3O8/c1-30-9-18-41-37(26-30)39(48)28-43(54-41)32-10-14-34(15-11-32)51-20-5-4-6-33-29-46(45-44-33)19-21-49-22-23-50-24-25-52-35-16-12-31(13-17-35)42-27-38(47)36-7-2-3-8-40(36)53-42/h2-3,7-18,26-29H,4-6,19-25H2,1H3 | 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 | 285 | 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)) | BDBM50505477
(CHEMBL4283151)Show SMILES O=c1cc(oc2cc(OCCCCc3cn(CCOCCOCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)ccc12)-c1ccccc1 Show InChI InChI=1S/C42H39N3O8/c46-37-27-39(30-9-3-1-4-10-30)52-41-25-33(14-16-35(37)41)50-19-8-7-13-32-29-45(44-43-32)18-20-48-21-22-49-23-24-51-34-15-17-36-38(47)28-40(53-42(36)26-34)31-11-5-2-6-12-31/h1-6,9-12,14-17,25-29H,7-8,13,18-24H2 | 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 | 47 | 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)) | BDBM50465859
(CHEMBL4286699)Show SMILES O=c1cc(oc2ccccc12)-c1ccc(OCCOCCn2cc(COCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C39H33N3O8/c43-34-23-38(49-36-9-5-4-8-32(34)36)28-10-12-30(13-11-28)47-20-18-45-17-16-42-25-29(40-41-42)26-46-19-21-48-31-14-15-33-35(44)24-37(50-39(33)22-31)27-6-2-1-3-7-27/h1-15,22-25H,16-21,26H2 | 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 | 303 | 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)) | BDBM50505478
(CHEMBL4283350)Show SMILES O=c1cc(oc2ccccc12)-c1ccc(OCCOCCOCCn2cc(COCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1 Show InChI InChI=1S/C41H37N3O9/c45-36-25-40(52-38-9-5-4-8-34(36)38)30-10-12-32(13-11-30)50-22-20-48-19-18-47-17-16-44-27-31(42-43-44)28-49-21-23-51-33-14-15-35-37(46)26-39(53-41(35)24-33)29-6-2-1-3-7-29/h1-15,24-27H,16-23,28H2 | 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 | 303 | 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)) | BDBM50465854
(CHEMBL4291621)Show SMILES O=c1cc(oc2cc(OCCOCc3cn(CCOCCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4ccccc4)nn3)ccc12)-c1ccccc1 Show InChI InChI=1S/C48H43N3O10/c52-42-30-44(35-11-5-2-6-12-35)60-45-29-39(19-20-40(42)45)58-28-26-56-33-37-31-51(50-49-37)21-22-54-23-24-55-25-27-57-38-17-15-36(16-18-38)47-48(59-32-34-9-3-1-4-10-34)46(53)41-13-7-8-14-43(41)61-47/h1-20,29-31H,21-28,32-33H2 | 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 | 38 | 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)) | 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)) | BDBM50505446
(CHEMBL4283756)Show SMILES O=c1cc(oc2cc(OCCOCc3cn(CCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4ccccc4)nn3)ccc12)-c1ccccc1 Show InChI InChI=1S/C46H39N3O9/c50-40-28-42(33-11-5-2-6-12-33)57-43-27-37(19-20-38(40)43)55-26-24-53-31-35-29-49(48-47-35)21-22-52-23-25-54-36-17-15-34(16-18-36)45-46(56-30-32-9-3-1-4-10-32)44(51)39-13-7-8-14-41(39)58-45/h1-20,27-29H,21-26,30-31H2 | 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 | 17 | 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)) | BDBM50505480
(CHEMBL4290167)Show SMILES O=c1cc(oc2ccccc12)-c1ccc(OCCOCCn2cc(CN(Cc3cn(CCOCCOc4ccc(cc4)-c4cc(=O)c5ccccc5o4)nn3)Cc3ccccc3)nn2)cc1 Show InChI InChI=1S/C51H47N7O8/c59-46-30-50(65-48-12-6-4-10-44(46)48)38-14-18-42(19-15-38)63-28-26-61-24-22-57-35-40(52-54-57)33-56(32-37-8-2-1-3-9-37)34-41-36-58(55-53-41)23-25-62-27-29-64-43-20-16-39(17-21-43)51-31-47(60)45-11-5-7-13-49(45)66-51/h1-21,30-31,35-36H,22-29,32-34H2 | 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 | 111 | 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)) | BDBM50505481
(CHEMBL4550557)Show SMILES O=c1cc(oc2ccccc12)-c1ccc(OCCOCCOCCn2cc(CNCc3cn(CCOCCOCCOc4ccc(cc4)-c4cc(=O)c5ccccc5o4)nn3)nn2)cc1 Show InChI InChI=1S/C48H49N7O10/c56-43-29-47(64-45-7-3-1-5-41(43)45)35-9-13-39(14-10-35)62-27-25-60-23-21-58-19-17-54-33-37(50-52-54)31-49-32-38-34-55(53-51-38)18-20-59-22-24-61-26-28-63-40-15-11-36(12-16-40)48-30-44(57)42-6-2-4-8-46(42)65-48/h1-16,29-30,33-34,49H,17-28,31-32H2 | 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 | 78 | 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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