Found 41 hits of Enzyme Inhibition Constant Data 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)) | BDBM50545548
(CHEMBL4633247)Show SMILES [H][C@@]12Cc3c([nH]c4cc(OC)ccc34)[C@H](CC(C)C)N1C(=O)[C@H](CCOC(=O)C(C)(C)C)NC2=O |r| Show InChI InChI=1S/C26H35N3O5/c1-14(2)11-20-22-17(16-8-7-15(33-6)12-19(16)27-22)13-21-23(30)28-18(24(31)29(20)21)9-10-34-25(32)26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,30)/t18-,20-,21-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitox... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitox... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitox... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitox... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50545548
(CHEMBL4633247)Show SMILES [H][C@@]12Cc3c([nH]c4cc(OC)ccc34)[C@H](CC(C)C)N1C(=O)[C@H](CCOC(=O)C(C)(C)C)NC2=O |r| Show InChI InChI=1S/C26H35N3O5/c1-14(2)11-20-22-17(16-8-7-15(33-6)12-19(16)27-22)13-21-23(30)28-18(24(31)29(20)21)9-10-34-25(32)26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,30)/t18-,20-,21-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on topotecan-induced cytotoxicity by measuring topoteca... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitox... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on topotecan-induced cytotoxicity by measuring topoteca... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on topotecan-induced cytotoxicity by measuring topoteca... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50545548
(CHEMBL4633247)Show SMILES [H][C@@]12Cc3c([nH]c4cc(OC)ccc34)[C@H](CC(C)C)N1C(=O)[C@H](CCOC(=O)C(C)(C)C)NC2=O |r| Show InChI InChI=1S/C26H35N3O5/c1-14(2)11-20-22-17(16-8-7-15(33-6)12-19(16)27-22)13-21-23(30)28-18(24(31)29(20)21)9-10-34-25(32)26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,30)/t18-,20-,21-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on topotecan-induced cytotoxicity by mea... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on topotecan-induced cytotoxicity by measuring topoteca... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on mitoxantrone-induced cytotoxicity by ... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on mitoxantrone-induced cytotoxicity by ... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on mitoxantrone-induced cytotoxicity by ... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50545548
(CHEMBL4633247)Show SMILES [H][C@@]12Cc3c([nH]c4cc(OC)ccc34)[C@H](CC(C)C)N1C(=O)[C@H](CCOC(=O)C(C)(C)C)NC2=O |r| Show InChI InChI=1S/C26H35N3O5/c1-14(2)11-20-22-17(16-8-7-15(33-6)12-19(16)27-22)13-21-23(30)28-18(24(31)29(20)21)9-10-34-25(32)26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,30)/t18-,20-,21-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on mitoxantrone-induced cytotoxicity by ... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on topotecan-induced cytotoxicity by measuring topoteca... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on topotecan-induced cytotoxicity by mea... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 144 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on topotecan-induced cytotoxicity by mea... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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CHEMBL
MCE
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| Article
PubMed
| n/a | n/a | 148 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on topotecan-induced cytotoxicity by mea... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50545548
(CHEMBL4633247)Show SMILES [H][C@@]12Cc3c([nH]c4cc(OC)ccc34)[C@H](CC(C)C)N1C(=O)[C@H](CCOC(=O)C(C)(C)C)NC2=O |r| Show InChI InChI=1S/C26H35N3O5/c1-14(2)11-20-22-17(16-8-7-15(33-6)12-19(16)27-22)13-21-23(30)28-18(24(31)29(20)21)9-10-34-25(32)26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,30)/t18-,20-,21-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human S1-M1-80 cells assessed as effect on topotecan-induced cytotoxicity by meas... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human S1-M1-80 cells assessed as effect on topotecan-induced cytotoxicity by meas... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 367 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on topotecan-induced cytotoxicity by mea... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human S1-M1-80 cells assessed as effect on topotecan-induced cytotoxicity by meas... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 442 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on mitoxantrone-induced cytotoxicity by ... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50545548
(CHEMBL4633247)Show SMILES [H][C@@]12Cc3c([nH]c4cc(OC)ccc34)[C@H](CC(C)C)N1C(=O)[C@H](CCOC(=O)C(C)(C)C)NC2=O |r| Show InChI InChI=1S/C26H35N3O5/c1-14(2)11-20-22-17(16-8-7-15(33-6)12-19(16)27-22)13-21-23(30)28-18(24(31)29(20)21)9-10-34-25(32)26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,30)/t18-,20-,21-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human S1-M1-80 cells assessed as effect on mitoxantrone-induced cytotoxicity by m... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human S1-M1-80 cells assessed as effect on topotecan-induced cytotoxicity by meas... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 1.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human S1-M1-80 cells assessed as effect on topotecan-induced cytotoxicity by meas... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 1.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human S1-M1-80 cells assessed as effect on mitoxantrone-induced cytotoxicity by m... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 2.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human S1-M1-80 cells assessed as effect on mitoxantrone-induced cytotoxicity by m... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human S1-M1-80 cells assessed as effect on mitoxantrone-induced cytotoxicity by m... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50075373
(1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...)Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43) | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
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UniChem
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| PDB
Article
PubMed
| n/a | n/a | 7.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of human ABCB1-mediated multidrug resistance in HEK293/MDR19 cells assessed as effect on colchicine-induced cytotoxicity at 1 uM by measurin... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Multidrug resistance-associated protein 1
(Homo sapiens (Human)) | BDBM50001285
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)Show SMILES CN(C)C(=O)CCSC(SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 Show InChI InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+ | PDB
UniProtKB/SwissProt
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CHEMBL
MCE
KEGG
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.19E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of human ABCC1-mediated multidrug resistance in HEK293/MRP1 cells assessed as effect on etoposide-induced cytotoxicity by measuring etoposid... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.95E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human S1-M1-80 cells assessed as effect on mitoxantrone-induced cytotoxicity by m... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
Multidrug resistance-associated protein 1
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
UniProtKB/SwissProt
GoogleScholar
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CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 4.93E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of human ABCC1-mediated multidrug resistance in HEK293/MRP1 cells assessed as effect on etoposide-induced cytotoxicity by measuring etoposid... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
Multidrug resistance-associated protein 1
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
UniProtKB/SwissProt
GoogleScholar
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CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 5.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of human ABCC1-mediated multidrug resistance in HEK293/MRP1 cells assessed as effect on etoposide-induced cytotoxicity by measuring etoposid... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
Multidrug resistance-associated protein 1
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
UniProtKB/SwissProt
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| n/a | n/a | 5.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of human ABCC1-mediated multidrug resistance in HEK293/MRP1 cells assessed as effect on etoposide-induced cytotoxicity by measuring etoposid... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
Multidrug resistance-associated protein 1
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
UniProtKB/SwissProt
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PubMed
| n/a | n/a | 6.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of human ABCC1-mediated multidrug resistance in HEK293/MRP1 cells assessed as effect on etoposide-induced cytotoxicity by measuring etoposid... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
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CHEMBL
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PubMed
| n/a | n/a | 9.49E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of human ABCB1-mediated multidrug resistance in HEK293/MDR19 cells assessed as effect on colchicine-induced cytotoxicity at 0.5 uM by measur... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
UniProtKB/SwissProt
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| n/a | n/a | 1.05E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of human ABCB1-mediated multidrug resistance in HEK293/MDR19 cells assessed as effect on colchicine-induced cytotoxicity at 3 uM by measurin... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
UniProtKB/SwissProt
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antibodypedia
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CHEMBL
MCE
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PubMed
| n/a | n/a | 1.15E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of human ABCB1-mediated multidrug resistance in HEK293/MDR19 cells assessed as effect on colchicine-induced cytotoxicity at 1 uM by measurin... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
UniProtKB/SwissProt
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antibodypedia
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CHEMBL
MCE
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| Article
PubMed
| n/a | n/a | 1.21E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Reversal of human ABCB1-mediated multidrug resistance in HEK293/MDR19 cells assessed as effect on colchicine-induced cytotoxicity at 2 uM by measurin... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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CHEMBL
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| n/a | n/a | n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description
Modulation of ABCG2 (unknown origin) expressed in High Five insect cell vesicle membrane assessed as stimulation of ATPase activity after 20 mins by ... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this
Ligand-Target Pair | |
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