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PubMed code 21354800

Compile data set for download or QSAR
Found 77 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50305083
PNG
(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Show SMILES COc1ccc2c3C[C@@H]4N([C@@H](CC(C)C)c3[nH]c2c1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC4=O |r|
Show InChI InChI=1S/C26H35N3O5/c1-14(2)11-20-23-17(16-8-7-15(33-6)12-19(16)27-23)13-21-24(31)28-18(25(32)29(20)21)9-10-22(30)34-26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,31)/t18-,20-,21-/m0/s1
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n/an/a 210n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50075373
PNG
(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)
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n/an/a 210n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MDR1 expressed in MDCK cells using rhodamine 123 staining by flow cytometry


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50305083
PNG
(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Show SMILES COc1ccc2c3C[C@@H]4N([C@@H](CC(C)C)c3[nH]c2c1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC4=O |r|
Show InChI InChI=1S/C26H35N3O5/c1-14(2)11-20-23-17(16-8-7-15(33-6)12-19(16)27-23)13-21-24(31)28-18(25(32)29(20)21)9-10-22(30)34-26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,31)/t18-,20-,21-/m0/s1
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n/an/a 390n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50338974
PNG
(2-(3,4-Dimethoxy-phenyl)-5-hydroxy-3,7-dimethoxy-c...)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(OC)c1)c(OC)c2=O
Show InChI InChI=1S/C19H18O7/c1-22-11-8-12(20)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(23-2)14(7-10)24-3/h5-9,20H,1-4H3
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n/an/a 390n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50064888
PNG
(3',5-dihydroxy-3,4',7-trimethoxyflavone | 5-hydrox...)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(O)c1)c(OC)c2=O
Show InChI InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-13(23-2)11(19)6-9/h4-8,19-20H,1-3H3
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n/an/a 460n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50064888
PNG
(3',5-dihydroxy-3,4',7-trimethoxyflavone | 5-hydrox...)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(O)c1)c(OC)c2=O
Show InChI InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-13(23-2)11(19)6-9/h4-8,19-20H,1-3H3
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n/an/a 680n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50338974
PNG
(2-(3,4-Dimethoxy-phenyl)-5-hydroxy-3,7-dimethoxy-c...)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(OC)c1)c(OC)c2=O
Show InChI InChI=1S/C19H18O7/c1-22-11-8-12(20)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(23-2)14(7-10)24-3/h5-9,20H,1-4H3
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n/an/a 900n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50075373
PNG
(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)
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n/an/a 940n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50338973
PNG
(5,4'-dihydroxy-3,6,7-trimethoxyflavanone | 5-Hydro...)
Show SMILES COc1cc2oc(-c3ccc(O)cc3)c(OC)c(=O)c2c(O)c1OC
Show InChI InChI=1S/C18H16O7/c1-22-12-8-11-13(14(20)17(12)23-2)15(21)18(24-3)16(25-11)9-4-6-10(19)7-5-9/h4-8,19-20H,1-3H3
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PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50338980
PNG
(CHEMBL1685073 | neocalycopteron-4-methylether)
Show SMILES CO[C@H]1C[C@@H](Oc2c(OC)c(OC)c3c(O[C@]45O[C@H](CC=C4C(=O)C(OC)=C(OC)[C@]35OC)c3ccccc3)c12)c1ccccc1 |r,c:20,t:27|
Show InChI InChI=1S/C36H36O10/c1-38-25-19-24(21-15-11-8-12-16-21)44-30-26(25)29-27(31(39-2)33(30)41-4)35(43-6)34(42-5)32(40-3)28(37)22-17-18-23(45-36(22,35)46-29)20-13-9-7-10-14-20/h7-17,23-25H,18-19H2,1-6H3/t23-,24-,25+,35-,36-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MDR1 expressed in MDCK cells using rhodamine 123 staining by flow cytometry


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50064900
PNG
(2-(3,4-Dimethoxy-phenyl)-3,5,6,7,8-pentamethoxy-ch...)
Show SMILES COc1ccc(cc1OC)-c1oc2c(OC)c(OC)c(OC)c(OC)c2c(=O)c1OC
Show InChI InChI=1S/C22H24O9/c1-24-12-9-8-11(10-13(12)25-2)16-19(27-4)15(23)14-17(26-3)20(28-5)22(30-7)21(29-6)18(14)31-16/h8-10H,1-7H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50075373
PNG
(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)
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM7461
PNG
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM7461
PNG
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50064900
PNG
(2-(3,4-Dimethoxy-phenyl)-3,5,6,7,8-pentamethoxy-ch...)
Show SMILES COc1ccc(cc1OC)-c1oc2c(OC)c(OC)c(OC)c(OC)c2c(=O)c1OC
Show InChI InChI=1S/C22H24O9/c1-24-12-9-8-11(10-13(12)25-2)16-19(27-4)15(23)14-17(26-3)20(28-5)22(30-7)21(29-6)18(14)31-16/h8-10H,1-7H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50338973
PNG
(5,4'-dihydroxy-3,6,7-trimethoxyflavanone | 5-Hydro...)
Show SMILES COc1cc2oc(-c3ccc(O)cc3)c(OC)c(=O)c2c(O)c1OC
Show InChI InChI=1S/C18H16O7/c1-22-12-8-11-13(14(20)17(12)23-2)15(21)18(24-3)16(25-11)9-4-6-10(19)7-5-9/h4-8,19-20H,1-3H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50338977
PNG
(5-Hydroxy-6-methyl-7-methoxy-flavone | 5-Hydroxy-7...)
Show SMILES COc1cc2oc(cc(=O)c2c(O)c1C)-c1ccccc1
Show InChI InChI=1S/C17H14O4/c1-10-13(20-2)9-15-16(17(10)19)12(18)8-14(21-15)11-6-4-3-5-7-11/h3-9,19H,1-2H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50338977
PNG
(5-Hydroxy-6-methyl-7-methoxy-flavone | 5-Hydroxy-7...)
Show SMILES COc1cc2oc(cc(=O)c2c(O)c1C)-c1ccccc1
Show InChI InChI=1S/C17H14O4/c1-10-13(20-2)9-15-16(17(10)19)12(18)8-14(21-15)11-6-4-3-5-7-11/h3-9,19H,1-2H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50081946
PNG
(6-Methoxy-2-phenyl-chromen-4-one | 6-Methoxyflavon...)
Show SMILES COc1ccc2oc(cc(=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C16H12O3/c1-18-12-7-8-15-13(9-12)14(17)10-16(19-15)11-5-3-2-4-6-11/h2-10H,1H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50338976
PNG
(2-(3,4-Dimethoxy-phenyl)-5,6,7,8-tetramethoxy-chro...)
Show SMILES COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1
Show InChI InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3
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n/an/a 4.40E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM7462
PNG
(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
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n/an/a 4.70E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50338971
PNG
(CHEMBL1685067 | Strobopinin-7-methylether)
Show SMILES COc1cc2OC(CC(=O)c2c(O)c1C)c1ccccc1
Show InChI InChI=1S/C17H16O4/c1-10-13(20-2)9-15-16(17(10)19)12(18)8-14(21-15)11-6-4-3-5-7-11/h3-7,9,14,19H,8H2,1-2H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50338976
PNG
(2-(3,4-Dimethoxy-phenyl)-5,6,7,8-tetramethoxy-chro...)
Show SMILES COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1
Show InChI InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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n/an/a 5.90E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50338978
PNG
(CHEMBL1685069 | Strobochrysin-dimethylether)
Show SMILES COc1cc2oc(cc(=O)c2c(OC)c1C)-c1ccccc1
Show InChI InChI=1S/C18H16O4/c1-11-14(20-2)10-16-17(18(11)21-3)13(19)9-15(22-16)12-7-5-4-6-8-12/h4-10H,1-3H3
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n/an/a 5.90E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM7462
PNG
(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
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n/an/a 6.20E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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n/an/a 6.90E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 6.90E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 7.60E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50338979
PNG
(CHEMBL1685072 | neocalycopteron)
Show SMILES COC1=C(OC)[C@]2(OC)c3c(O[C@@]22O[C@H](CC=C2C1=O)c1ccccc1)c1[C@@H](O)C[C@@H](Oc1c(OC)c3OC)c1ccccc1 |r,c:2,17|
Show InChI InChI=1S/C35H34O10/c1-38-30-26-28(25-22(36)18-24(20-14-10-7-11-15-20)43-29(25)32(30)40-3)45-35-21(16-17-23(44-35)19-12-8-6-9-13-19)27(37)31(39-2)33(41-4)34(26,35)42-5/h6-16,22-24,36H,17-18H2,1-5H3/t22-,23+,24+,34+,35+/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MDR1 expressed in MDCK cells using rhodamine 123 staining by flow cytometry


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50338978
PNG
(CHEMBL1685069 | Strobochrysin-dimethylether)
Show SMILES COc1cc2oc(cc(=O)c2c(OC)c1C)-c1ccccc1
Show InChI InChI=1S/C18H16O4/c1-11-14(20-2)10-16-17(18(11)21-3)13(19)9-15(22-16)12-7-5-4-6-8-12/h4-10H,1-3H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50338981
PNG
(CHEMBL1685074 | calyflorenon B)
Show SMILES CO[C@@H]1C[C@H](OC2=C1C(=O)[C@H](OC)[C@@]1(OC)Oc3c(c(OC)c(OC)c4O[C@@H](C[C@@H](O)c34)c3ccccc3)[C@@]21OC)c1ccccc1 |r,c:6|
Show InChI InChI=1S/C36H38O11/c1-39-24-18-23(20-15-11-8-12-16-20)46-33-26(24)28(38)34(42-4)36(44-6)35(33,43-5)27-29(47-36)25-21(37)17-22(19-13-9-7-10-14-19)45-30(25)32(41-3)31(27)40-2/h7-16,21-24,34,37H,17-18H2,1-6H3/t21-,22+,23+,24-,34+,35-,36-/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MDR1 expressed in MDCK cells using rhodamine 123 staining by flow cytometry


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50338975
PNG
(2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4H-chrome...)
Show SMILES COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1
Show InChI InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3
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n/an/a 8.30E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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n/an/a 8.80E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50338975
PNG
(2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4H-chrome...)
Show SMILES COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1
Show InChI InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50338972
PNG
(5,7-Dimethoxy-2-phenyl-chromen-4-one | 5,7-dimetho...)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C17H14O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-10H,1-2H3
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n/an/a 9.20E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50338972
PNG
(5,7-Dimethoxy-2-phenyl-chromen-4-one | 5,7-dimetho...)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C17H14O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-10H,1-2H3
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n/an/a 9.20E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50187663
PNG
(5,7-dimethoxy-8-methyl-flavanone | CHEMBL207954)
Show SMILES COc1cc(OC)c2C(=O)C[C@H](Oc2c1C)c1ccccc1
Show InChI InChI=1S/C18H18O4/c1-11-14(20-2)10-16(21-3)17-13(19)9-15(22-18(11)17)12-7-5-4-6-8-12/h4-8,10,15H,9H2,1-3H3/t15-/m0/s1
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n/an/a 9.30E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM81939
PNG
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
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n/an/a 9.80E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MDR1 expressed in MDCK cells using rhodamine 123 staining by flow cytometry


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50081946
PNG
(6-Methoxy-2-phenyl-chromen-4-one | 6-Methoxyflavon...)
Show SMILES COc1ccc2oc(cc(=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C16H12O3/c1-18-12-7-8-15-13(9-12)14(17)10-16(19-15)11-5-3-2-4-6-11/h2-10H,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50338970
PNG
(CHEMBL1556958 | Strobopinin | cid_114429)
Show SMILES Cc1c(O)cc2OC(CC(=O)c2c1O)c1ccccc1
Show InChI InChI=1S/C16H14O4/c1-9-11(17)7-14-15(16(9)19)12(18)8-13(20-14)10-5-3-2-4-6-10/h2-7,13,17,19H,8H2,1H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50338979
PNG
(CHEMBL1685072 | neocalycopteron)
Show SMILES COC1=C(OC)[C@]2(OC)c3c(O[C@@]22O[C@H](CC=C2C1=O)c1ccccc1)c1[C@@H](O)C[C@@H](Oc1c(OC)c3OC)c1ccccc1 |r,c:2,17|
Show InChI InChI=1S/C35H34O10/c1-38-30-26-28(25-22(36)18-24(20-14-10-7-11-15-20)43-29(25)32(30)40-3)45-35-21(16-17-23(44-35)19-12-8-6-9-13-19)27(37)31(39-2)33(41-4)34(26,35)42-5/h6-16,22-24,36H,17-18H2,1-5H3/t22-,23+,24+,34+,35+/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50338971
PNG
(CHEMBL1685067 | Strobopinin-7-methylether)
Show SMILES COc1cc2OC(CC(=O)c2c(O)c1C)c1ccccc1
Show InChI InChI=1S/C17H16O4/c1-10-13(20-2)9-15-16(17(10)19)12(18)8-14(21-15)11-6-4-3-5-7-11/h3-7,9,14,19H,8H2,1-2H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 1.26E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in human 2008 cells assessed as calcein AM accumulation by cell based assay


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50064888
PNG
(3',5-dihydroxy-3,4',7-trimethoxyflavone | 5-hydrox...)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(O)c1)c(OC)c2=O
Show InChI InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-13(23-2)11(19)6-9/h4-8,19-20H,1-3H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MDR1 expressed in MDCK cells using rhodamine 123 staining by flow cytometry


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50338973
PNG
(5,4'-dihydroxy-3,6,7-trimethoxyflavanone | 5-Hydro...)
Show SMILES COc1cc2oc(-c3ccc(O)cc3)c(OC)c(=O)c2c(O)c1OC
Show InChI InChI=1S/C18H16O7/c1-22-12-8-11-13(14(20)17(12)23-2)15(21)18(24-3)16(25-11)9-4-6-10(19)7-5-9/h4-8,19-20H,1-3H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MDR1 expressed in MDCK cells using rhodamine 123 staining by flow cytometry


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50081946
PNG
(6-Methoxy-2-phenyl-chromen-4-one | 6-Methoxyflavon...)
Show SMILES COc1ccc2oc(cc(=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C16H12O3/c1-18-12-7-8-15-13(9-12)14(17)10-16(19-15)11-5-3-2-4-6-11/h2-10H,1H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MDR1 expressed in MDCK cells using rhodamine 123 staining by flow cytometry


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50187663
PNG
(5,7-dimethoxy-8-methyl-flavanone | CHEMBL207954)
Show SMILES COc1cc(OC)c2C(=O)C[C@H](Oc2c1C)c1ccccc1
Show InChI InChI=1S/C18H18O4/c1-11-14(20-2)10-16(21-3)17-13(19)9-15(22-18(11)17)12-7-5-4-6-8-12/h4-8,10,15H,9H2,1-3H3/t15-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MDR1 expressed in MDCK cells using rhodamine 123 staining by flow cytometry


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50338979
PNG
(CHEMBL1685072 | neocalycopteron)
Show SMILES COC1=C(OC)[C@]2(OC)c3c(O[C@@]22O[C@H](CC=C2C1=O)c1ccccc1)c1[C@@H](O)C[C@@H](Oc1c(OC)c3OC)c1ccccc1 |r,c:2,17|
Show InChI InChI=1S/C35H34O10/c1-38-30-26-28(25-22(36)18-24(20-14-10-7-11-15-20)43-29(25)32(30)40-3)45-35-21(16-17-23(44-35)19-12-8-6-9-13-19)27(37)31(39-2)33(41-4)34(26,35)42-5/h6-16,22-24,36H,17-18H2,1-5H3/t22-,23+,24+,34+,35+/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50338980
PNG
(CHEMBL1685073 | neocalycopteron-4-methylether)
Show SMILES CO[C@H]1C[C@@H](Oc2c(OC)c(OC)c3c(O[C@]45O[C@H](CC=C4C(=O)C(OC)=C(OC)[C@]35OC)c3ccccc3)c12)c1ccccc1 |r,c:20,t:27|
Show InChI InChI=1S/C36H36O10/c1-38-25-19-24(21-15-11-8-12-16-21)44-30-26(25)29-27(31(39-2)33(30)41-4)35(43-6)34(42-5)32(40-3)28(37)22-17-18-23(45-36(22,35)46-29)20-13-9-7-10-14-20/h7-17,23-25H,18-19H2,1-6H3/t23-,24-,25+,35-,36-/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50338974
PNG
(2-(3,4-Dimethoxy-phenyl)-5-hydroxy-3,7-dimethoxy-c...)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(OC)c1)c(OC)c2=O
Show InChI InChI=1S/C19H18O7/c1-22-11-8-12(20)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(23-2)14(7-10)24-3/h5-9,20H,1-4H3
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MDR1 expressed in MDCK cells using rhodamine 123 staining by flow cytometry


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50338969
PNG
(5,7-Dimethoxy-2-phenyl-chroman-4-one | 5,7-Dimetho...)
Show SMILES COc1cc(OC)c2C(=O)CC(Oc2c1)c1ccccc1
Show InChI InChI=1S/C17H16O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-9,14H,10H2,1-2H3
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50187663
PNG
(5,7-dimethoxy-8-methyl-flavanone | CHEMBL207954)
Show SMILES COc1cc(OC)c2C(=O)C[C@H](Oc2c1C)c1ccccc1
Show InChI InChI=1S/C18H18O4/c1-11-14(20-2)10-16(21-3)17-13(19)9-15(22-18(11)17)12-7-5-4-6-8-12/h4-8,10,15H,9H2,1-3H3/t15-/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50028962
PNG
(CHEMBL275638 | flavone)
Show SMILES O=c1cc(oc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50338969
PNG
(5,7-Dimethoxy-2-phenyl-chroman-4-one | 5,7-Dimetho...)
Show SMILES COc1cc(OC)c2C(=O)CC(Oc2c1)c1ccccc1
Show InChI InChI=1S/C17H16O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-9,14H,10H2,1-2H3
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50028962
PNG
(CHEMBL275638 | flavone)
Show SMILES O=c1cc(oc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50209218
PNG
(4',5,6,7,8-pentamethoxyflavone | 5,6,7,8,4'-Pentam...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1
Show InChI InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50338978
PNG
(CHEMBL1685069 | Strobochrysin-dimethylether)
Show SMILES COc1cc2oc(cc(=O)c2c(OC)c1C)-c1ccccc1
Show InChI InChI=1S/C18H16O4/c1-11-14(20-2)10-16-17(18(11)21-3)13(19)9-15(22-16)12-7-5-4-6-8-12/h4-10H,1-3H3
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n/an/a 1.90E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MDR1 expressed in MDCK cells using rhodamine 123 staining by flow cytometry


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50209218
PNG
(4',5,6,7,8-pentamethoxyflavone | 5,6,7,8,4'-Pentam...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1
Show InChI InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3
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n/an/a 1.90E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50296860
PNG
(6-Methoxyflavanone | 6-methoxy-2-phenylchroman-4-o...)
Show SMILES COc1ccc2OC(CC(=O)c2c1)c1ccccc1
Show InChI InChI=1S/C16H14O3/c1-18-12-7-8-15-13(9-12)14(17)10-16(19-15)11-5-3-2-4-6-11/h2-9,16H,10H2,1H3
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n/an/a 1.90E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM26658
PNG
(2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopy...)
Show SMILES Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50338970
PNG
(CHEMBL1556958 | Strobopinin | cid_114429)
Show SMILES Cc1c(O)cc2OC(CC(=O)c2c1O)c1ccccc1
Show InChI InChI=1S/C16H14O4/c1-9-11(17)7-14-15(16(9)19)12(18)8-13(20-14)10-5-3-2-4-6-10/h2-7,13,17,19H,8H2,1H3
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n/an/a 2.60E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50338981
PNG
(CHEMBL1685074 | calyflorenon B)
Show SMILES CO[C@@H]1C[C@H](OC2=C1C(=O)[C@H](OC)[C@@]1(OC)Oc3c(c(OC)c(OC)c4O[C@@H](C[C@@H](O)c34)c3ccccc3)[C@@]21OC)c1ccccc1 |r,c:6|
Show InChI InChI=1S/C36H38O11/c1-39-24-18-23(20-15-11-8-12-16-20)46-33-26(24)28(38)34(42-4)36(44-6)35(33,43-5)27-29(47-36)25-21(37)17-22(19-13-9-7-10-14-19)45-30(25)32(41-3)31(27)40-2/h7-16,21-24,34,37H,17-18H2,1-6H3/t21-,22+,23+,24-,34+,35-,36-/m1/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50338971
PNG
(CHEMBL1685067 | Strobopinin-7-methylether)
Show SMILES COc1cc2OC(CC(=O)c2c(O)c1C)c1ccccc1
Show InChI InChI=1S/C17H16O4/c1-10-13(20-2)9-15-16(17(10)19)12(18)8-14(21-15)11-6-4-3-5-7-11/h3-7,9,14,19H,8H2,1-2H3
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n/an/a 2.90E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MDR1 expressed in MDCK cells using rhodamine 123 staining by flow cytometry


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50338975
PNG
(2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4H-chrome...)
Show SMILES COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1
Show InChI InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3
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n/an/a 2.90E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MDR1 expressed in MDCK cells using rhodamine 123 staining by flow cytometry


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50064900
PNG
(2-(3,4-Dimethoxy-phenyl)-3,5,6,7,8-pentamethoxy-ch...)
Show SMILES COc1ccc(cc1OC)-c1oc2c(OC)c(OC)c(OC)c(OC)c2c(=O)c1OC
Show InChI InChI=1S/C22H24O9/c1-24-12-9-8-11(10-13(12)25-2)16-19(27-4)15(23)14-17(26-3)20(28-5)22(30-7)21(29-6)18(14)31-16/h8-10H,1-7H3
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n/an/a 3.10E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MDR1 expressed in MDCK cells using rhodamine 123 staining by flow cytometry


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50338968
PNG
((+/-)-5-hydroxy-7-methoxyflavanone | (-)-pinostrob...)
Show SMILES COc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3/t14-/m0/s1
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n/an/a 3.10E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50338968
PNG
((+/-)-5-hydroxy-7-methoxyflavanone | (-)-pinostrob...)
Show SMILES COc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3/t14-/m0/s1
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n/an/a 3.10E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50209218
PNG
(4',5,6,7,8-pentamethoxyflavone | 5,6,7,8,4'-Pentam...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1
Show InChI InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3
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n/an/a 3.90E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MDR1 expressed in MDCK cells using rhodamine 123 staining by flow cytometry


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50338981
PNG
(CHEMBL1685074 | calyflorenon B)
Show SMILES CO[C@@H]1C[C@H](OC2=C1C(=O)[C@H](OC)[C@@]1(OC)Oc3c(c(OC)c(OC)c4O[C@@H](C[C@@H](O)c34)c3ccccc3)[C@@]21OC)c1ccccc1 |r,c:6|
Show InChI InChI=1S/C36H38O11/c1-39-24-18-23(20-15-11-8-12-16-20)46-33-26(24)28(38)34(42-4)36(44-6)35(33,43-5)27-29(47-36)25-21(37)17-22(19-13-9-7-10-14-19)45-30(25)32(41-3)31(27)40-2/h7-16,21-24,34,37H,17-18H2,1-6H3/t21-,22+,23+,24-,34+,35-,36-/m1/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50296860
PNG
(6-Methoxyflavanone | 6-methoxy-2-phenylchroman-4-o...)
Show SMILES COc1ccc2OC(CC(=O)c2c1)c1ccccc1
Show InChI InChI=1S/C16H14O3/c1-18-12-7-8-15-13(9-12)14(17)10-16(19-15)11-5-3-2-4-6-11/h2-9,16H,10H2,1H3
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n/an/a 4.60E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50338980
PNG
(CHEMBL1685073 | neocalycopteron-4-methylether)
Show SMILES CO[C@H]1C[C@@H](Oc2c(OC)c(OC)c3c(O[C@]45O[C@H](CC=C4C(=O)C(OC)=C(OC)[C@]35OC)c3ccccc3)c12)c1ccccc1 |r,c:20,t:27|
Show InChI InChI=1S/C36H36O10/c1-38-25-19-24(21-15-11-8-12-16-21)44-30-26(25)29-27(31(39-2)33(30)41-4)35(43-6)34(42-5)32(40-3)28(37)22-17-18-23(45-36(22,35)46-29)20-13-9-7-10-14-20/h7-17,23-25H,18-19H2,1-6H3/t23-,24-,25+,35-,36-/m1/s1
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n/an/a 4.70E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM26658
PNG
(2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopy...)
Show SMILES Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
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n/an/a 4.90E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50064888
PNG
(3',5-dihydroxy-3,4',7-trimethoxyflavone | 5-hydrox...)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(O)c1)c(OC)c2=O
Show InChI InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-13(23-2)11(19)6-9/h4-8,19-20H,1-3H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in human 2008 cells assessed as calcein AM accumulation by cell based assay


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50338974
PNG
(2-(3,4-Dimethoxy-phenyl)-5-hydroxy-3,7-dimethoxy-c...)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(OC)c1)c(OC)c2=O
Show InChI InChI=1S/C19H18O7/c1-22-11-8-12(20)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(23-2)14(7-10)24-3/h5-9,20H,1-4H3
PDB

UniProtKB/SwissProt

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CHEMBL
MCE
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UniChem

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Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in human 2008 cells assessed as calcein AM accumulation by cell based assay


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50296860
PNG
(6-Methoxyflavanone | 6-methoxy-2-phenylchroman-4-o...)
Show SMILES COc1ccc2OC(CC(=O)c2c1)c1ccccc1
Show InChI InChI=1S/C16H14O3/c1-18-12-7-8-15-13(9-12)14(17)10-16(19-15)11-5-3-2-4-6-11/h2-9,16H,10H2,1H3
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
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n/an/a 6.40E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MDR1 expressed in MDCK cells using rhodamine 123 staining by flow cytometry


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%