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Compile Data Set for Download or QSAR

Found 1456 hits Enz. Inhib. hit(s) with Target = 'Multidrug resistance-associated protein 1'   
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
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50465870
PNG
(CHEMBL4286793)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)-c1ccc(OCCCc2cn(CCOCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1
Show InChI InChI=1S/C39H32FN3O7/c40-28-10-14-32-34(44)24-37(49-38(32)21-28)27-8-11-30(12-9-27)47-17-4-7-29-25-43(42-41-29)16-18-46-19-20-48-31-13-15-33-35(45)23-36(50-39(33)22-31)26-5-2-1-3-6-26/h1-3,5-6,8-15,21-25H,4,7,16-20H2
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n/an/an/an/a 53n/an/an/an/a



Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human 2008/MRP1 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring reduction in cell survival afte...


J Med Chem 61: 9931-9951 (2018)

More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50295478
PNG
(1,16-Bis[40-((6-methyl)-4H-chromen-4-on-2-yl)pheny...)
Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCOCCOCCOc2ccc(cc2)-c2cc(=O)c3cc(C)ccc3o2)cc1
Show InChI InChI=1S/C42H42O10/c1-29-3-13-39-35(25-29)37(43)27-41(51-39)31-5-9-33(10-6-31)49-23-21-47-19-17-45-15-16-46-18-20-48-22-24-50-34-11-7-32(8-12-34)42-28-38(44)36-26-30(2)4-14-40(36)52-42/h3-14,25-28H,15-24H2,1-2H3
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n/an/an/an/a 73n/an/an/an/a



Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human 2008/MRP1 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring reduction in cell survival afte...


J Med Chem 61: 9931-9951 (2018)

More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50295478
PNG
(1,16-Bis[40-((6-methyl)-4H-chromen-4-on-2-yl)pheny...)
Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCOCCOCCOc2ccc(cc2)-c2cc(=O)c3cc(C)ccc3o2)cc1
Show InChI InChI=1S/C42H42O10/c1-29-3-13-39-35(25-29)37(43)27-41(51-39)31-5-9-33(10-6-31)49-23-21-47-19-17-45-15-16-46-18-20-48-22-24-50-34-11-7-32(8-12-34)42-28-38(44)36-26-30(2)4-14-40(36)52-42/h3-14,25-28H,15-24H2,1-2H3
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n/an/an/an/a 73n/an/an/an/a



The Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Reversal of MRP1-mediated doxorubicin-resistance in human 2008/MRP1 cells assessed as reduction of doxorubicin IC50 percent by half


J Med Chem 52: 5311-22 (2009)


Article DOI: 10.1021/jm900194w
BindingDB Entry DOI: 10.7270/Q25B02H5
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50465860
PNG
(CHEMBL4282529)
Show SMILES O=c1cc(oc2ccccc12)-c1ccc(OCCOCCn2cc(CN(CCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)Cc3ccccc3)nn2)cc1
Show InChI InChI=1S/C46H40N4O7/c51-41-28-45(56-43-14-8-7-13-39(41)43)35-15-17-37(18-16-35)55-26-25-53-23-22-50-32-36(47-48-50)31-49(30-33-9-3-1-4-10-33)21-24-54-38-19-20-40-42(52)29-44(57-46(40)27-38)34-11-5-2-6-12-34/h1-20,27-29,32H,21-26,30-31H2
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n/an/an/an/a 78n/an/an/an/a



Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human 2008/MRP1 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring reduction in cell survival afte...


J Med Chem 61: 9931-9951 (2018)

More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50465856
PNG
(CHEMBL4280256)
Show SMILES O=c1cc(oc2ccccc12)-c1ccc(OCCOCCn2cc(CCCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1
Show InChI InChI=1S/C40H35N3O7/c44-35-25-39(49-37-12-5-4-11-33(35)37)29-13-15-31(16-14-29)48-23-22-46-21-19-43-27-30(41-42-43)10-6-7-20-47-32-17-18-34-36(45)26-38(50-40(34)24-32)28-8-2-1-3-9-28/h1-5,8-9,11-18,24-27H,6-7,10,19-23H2
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n/an/an/an/a 87n/an/an/an/a



Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human 2008/MRP1 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring reduction in cell survival afte...


J Med Chem 61: 9931-9951 (2018)

More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50174854
PNG
(CHEMBL200216 | N-(((1R,3S)-3-(9-chloro-3-methyl-4-...)
Show SMILES Cc1onc2c1c(=O)n([C@H]1CCC[C@@H](CNC(=O)c3ccccc3)C1)c1cccc(Cl)c21
Show InChI InChI=1S/C25H24ClN3O3/c1-15-21-23(28-32-15)22-19(26)11-6-12-20(22)29(25(21)31)18-10-5-7-16(13-18)14-27-24(30)17-8-3-2-4-9-17/h2-4,6,8-9,11-12,16,18H,5,7,10,13-14H2,1H3,(H,27,30)/t16-,18+/m1/s1
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n/an/an/an/a 93n/an/an/an/a



The Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Reversal of MRP1-mediated doxorubicin-resistance in human HeLa-T5 cells assessed as reduction of doxorubicin IC50 percent by half


J Med Chem 52: 5311-22 (2009)


Article DOI: 10.1021/jm900194w
BindingDB Entry DOI: 10.7270/Q25B02H5
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50465865
PNG
(CHEMBL4278382)
Show SMILES Fc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(CCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1
Show InChI InChI=1S/C41H36FN3O8/c42-30-10-15-38-35(23-30)37(47)26-40(52-38)29-8-11-32(12-9-29)51-22-21-49-20-19-48-18-16-45-27-31(43-44-45)7-4-17-50-33-13-14-34-36(46)25-39(53-41(34)24-33)28-5-2-1-3-6-28/h1-3,5-6,8-15,23-27H,4,7,16-22H2
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n/an/an/an/a 95n/an/an/an/a



Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human 2008/MRP1 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring reduction in cell survival afte...


J Med Chem 61: 9931-9951 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Mus musculus)
BDBM50140825
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES Fc1ccc(CCN2CCN(CC2)c2ncnc3c(C(=O)NCc4ccccn4)c4CCCCn4c23)cc1F
Show InChI InChI=1S/C29H31F2N7O/c30-22-8-7-20(17-23(22)31)9-12-36-13-15-37(16-14-36)28-27-26(34-19-35-28)25(24-6-2-4-11-38(24)27)29(39)33-18-21-5-1-3-10-32-21/h1,3,5,7-8,10,17,19H,2,4,6,9,11-16,18H2,(H,33,39)
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n/an/an/an/a 97n/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Effective concentration of the compound to inhibit MRP1 in potentiation assay


J Med Chem 47: 1329-38 (2004)


Article DOI: 10.1021/jm031011g
BindingDB Entry DOI: 10.7270/Q25Q4VH0
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50465861
PNG
(CHEMBL4286968)
Show SMILES O=c1cc(oc2ccccc12)-c1ccc(OCCOCCOCCn2cc(CN(CCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)Cc3ccccc3)nn2)cc1
Show InChI InChI=1S/C48H44N4O8/c53-43-30-47(59-45-14-8-7-13-41(43)45)37-15-17-39(18-16-37)58-28-27-56-26-25-55-23-22-52-34-38(49-50-52)33-51(32-35-9-3-1-4-10-35)21-24-57-40-19-20-42-44(54)31-46(60-48(42)29-40)36-11-5-2-6-12-36/h1-20,29-31,34H,21-28,32-33H2
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n/an/an/an/a 99n/an/an/an/a



Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human 2008/MRP1 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring reduction in cell survival afte...


J Med Chem 61: 9931-9951 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Mus musculus)
BDBM50140798
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES CCNC(=O)c1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccc(F)c(F)c2)CC1
Show InChI InChI=1S/C25H30F2N6O/c1-2-28-25(34)21-20-5-3-4-9-33(20)23-22(21)29-16-30-24(23)32-13-11-31(12-14-32)10-8-17-6-7-18(26)19(27)15-17/h6-7,15-16H,2-5,8-14H2,1H3,(H,28,34)
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n/an/an/an/a 100n/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Effective concentration of the compound to inhibit MRP1 in potentiation assay


J Med Chem 47: 1329-38 (2004)


Article DOI: 10.1021/jm031011g
BindingDB Entry DOI: 10.7270/Q25Q4VH0
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50465858
PNG
(CHEMBL4277727)
Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCOCCOc3ccc(cc3)-c3cc(=O)c4ccccc4o3)nn2)cc1
Show InChI InChI=1S/C41H37N3O7/c1-28-9-18-39-35(24-28)37(46)26-41(51-39)30-10-14-32(15-11-30)48-20-5-4-6-31-27-44(43-42-31)19-21-47-22-23-49-33-16-12-29(13-17-33)40-25-36(45)34-7-2-3-8-38(34)50-40/h2-3,7-18,24-27H,4-6,19-23H2,1H3
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n/an/an/an/a 103n/an/an/an/a



Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human 2008/MRP1 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring reduction in cell survival afte...


J Med Chem 61: 9931-9951 (2018)

More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50465867
PNG
(CHEMBL4291291)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)-c1ccc(OCCCc2cn(CCOCCOCCOc3ccc(cc3)-c3cc(=O)c4cc(F)ccc4o3)nn2)cc1
Show InChI InChI=1S/C41H35F2N3O8/c42-29-8-14-38-35(22-29)37(48)25-39(53-38)27-5-11-33(12-6-27)52-21-20-50-19-18-49-17-15-46-26-31(44-45-46)2-1-16-51-32-9-3-28(4-10-32)40-24-36(47)34-13-7-30(43)23-41(34)54-40/h3-14,22-26H,1-2,15-21H2
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n/an/an/an/a 103n/an/an/an/a



Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human 2008/MRP1 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring reduction in cell survival afte...


J Med Chem 61: 9931-9951 (2018)

More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50465852
PNG
(CHEMBL4290384)
Show SMILES O=c1cc(oc2ccccc12)-c1ccc(OCCCc2cn(CCOCCOc3ccc(cc3)-c3cc(=O)c4ccccc4o3)nn2)cc1
Show InChI InChI=1S/C39H33N3O7/c43-34-24-38(48-36-9-3-1-7-32(34)36)27-11-15-30(16-12-27)46-20-5-6-29-26-42(41-40-29)19-21-45-22-23-47-31-17-13-28(14-18-31)39-25-35(44)33-8-2-4-10-37(33)49-39/h1-4,7-18,24-26H,5-6,19-23H2
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n/an/an/an/a 113n/an/an/an/a



Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human 2008/MRP1 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring reduction in cell survival afte...


J Med Chem 61: 9931-9951 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Mus musculus)
BDBM50140806
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES NC(=O)c1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccc(F)c(F)c2)CC1
Show InChI InChI=1S/C23H26F2N6O/c24-16-5-4-15(13-17(16)25)6-8-29-9-11-30(12-10-29)23-21-20(27-14-28-23)19(22(26)32)18-3-1-2-7-31(18)21/h4-5,13-14H,1-3,6-12H2,(H2,26,32)
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n/an/an/an/a 117n/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Effective concentration of the compound to inhibit MRP1 in potentiation assay


J Med Chem 47: 1329-38 (2004)


Article DOI: 10.1021/jm031011g
BindingDB Entry DOI: 10.7270/Q25Q4VH0
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50465866
PNG
(CHEMBL4283444)
Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(CCCOc3ccc(cc3)-c3cc(=O)c4ccc(F)cc4o3)nn2)cc1
Show InChI InChI=1S/C42H38FN3O8/c1-28-4-15-39-36(23-28)38(48)26-40(53-39)29-7-12-34(13-8-29)52-22-21-50-20-19-49-18-16-46-27-32(44-45-46)3-2-17-51-33-10-5-30(6-11-33)41-25-37(47)35-14-9-31(43)24-42(35)54-41/h4-15,23-27H,2-3,16-22H2,1H3
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n/an/an/an/a 121n/an/an/an/a



Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human 2008/MRP1 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring reduction in cell survival afte...


J Med Chem 61: 9931-9951 (2018)

More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50465868
PNG
(CHEMBL4279851)
Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCOCCOCCOc3ccc(cc3)-c3cc(=O)c4cc(C)ccc4o3)nn2)cc1
Show InChI InChI=1S/C44H43N3O8/c1-30-6-16-41-37(25-30)39(48)27-43(54-41)32-8-12-35(13-9-32)52-19-4-3-5-34-29-47(46-45-34)18-20-50-21-22-51-23-24-53-36-14-10-33(11-15-36)44-28-40(49)38-26-31(2)7-17-42(38)55-44/h6-17,25-29H,3-5,18-24H2,1-2H3
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n/an/an/an/a 137n/an/an/an/a



Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human 2008/MRP1 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring reduction in cell survival afte...


J Med Chem 61: 9931-9951 (2018)

More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50465857
PNG
(CHEMBL4279545)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)-c1ccc(OCCCc2cn(CCOCCOc3ccc(cc3)-c3cc(=O)c4ccccc4o3)nn2)cc1
Show InChI InChI=1S/C39H32FN3O7/c40-28-11-16-33-35(45)24-38(50-39(33)22-28)27-7-12-30(13-8-27)47-18-3-4-29-25-43(42-41-29)17-19-46-20-21-48-31-14-9-26(10-15-31)37-23-34(44)32-5-1-2-6-36(32)49-37/h1-2,5-16,22-25H,3-4,17-21H2
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n/an/an/an/a 140n/an/an/an/a



Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human 2008/MRP1 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring reduction in cell survival afte...


J Med Chem 61: 9931-9951 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Mus musculus)
BDBM50140820
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES COc1cccc(CNC(=O)c2c3CCCCn3c3c(ncnc23)N2CCN(CCc3ccc(F)c(F)c3)CC2)c1OC
Show InChI InChI=1S/C32H36F2N6O3/c1-42-26-8-5-6-22(30(26)43-2)19-35-32(41)27-25-7-3-4-12-40(25)29-28(27)36-20-37-31(29)39-16-14-38(15-17-39)13-11-21-9-10-23(33)24(34)18-21/h5-6,8-10,18,20H,3-4,7,11-17,19H2,1-2H3,(H,35,41)
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n/an/an/an/a 150n/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Effective concentration of the compound to inhibit MRP1 in potentiation assay


J Med Chem 47: 1329-38 (2004)


Article DOI: 10.1021/jm031011g
BindingDB Entry DOI: 10.7270/Q25Q4VH0
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50465863
PNG
(CHEMBL4290127)
Show SMILES O=c1cc(oc2ccccc12)-c1ccc(OCCOCCn2cc(CCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1
Show InChI InChI=1S/C39H33N3O7/c43-34-24-38(48-36-11-5-4-10-32(34)36)28-12-14-30(15-13-28)47-22-21-45-20-18-42-26-29(40-41-42)9-6-19-46-31-16-17-33-35(44)25-37(49-39(33)23-31)27-7-2-1-3-8-27/h1-5,7-8,10-17,23-26H,6,9,18-22H2
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n/an/an/an/a 151n/an/an/an/a



Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human 2008/MRP1 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring reduction in cell survival afte...


J Med Chem 61: 9931-9951 (2018)

More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50465855
PNG
(CHEMBL4293130)
Show SMILES Fc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCn2cc(CN(CCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)Cc3ccccc3)nn2)cc1
Show InChI InChI=1S/C46H39FN4O7/c47-35-13-18-43-40(25-35)42(53)28-45(57-43)34-11-14-37(15-12-34)56-24-23-54-21-20-51-31-36(48-49-51)30-50(29-32-7-3-1-4-8-32)19-22-55-38-16-17-39-41(52)27-44(58-46(39)26-38)33-9-5-2-6-10-33/h1-18,25-28,31H,19-24,29-30H2
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n/an/an/an/a 155n/an/an/an/a



Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human 2008/MRP1 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring reduction in cell survival afte...


J Med Chem 61: 9931-9951 (2018)

More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50465862
PNG
(CHEMBL4280596)
Show SMILES Fc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(CN(CCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)Cc3ccccc3)nn2)cc1
Show InChI InChI=1S/C48H43FN4O8/c49-37-13-18-45-42(27-37)44(55)30-47(60-45)36-11-14-39(15-12-36)59-26-25-57-24-23-56-21-20-53-33-38(50-51-53)32-52(31-34-7-3-1-4-8-34)19-22-58-40-16-17-41-43(54)29-46(61-48(41)28-40)35-9-5-2-6-10-35/h1-18,27-30,33H,19-26,31-32H2
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n/an/an/an/a 156n/an/an/an/a



Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human 2008/MRP1 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring reduction in cell survival afte...


J Med Chem 61: 9931-9951 (2018)

More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50465853
PNG
(CHEMBL4283314)
Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCOCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1
Show InChI InChI=1S/C41H37N3O7/c1-28-10-17-38-35(23-28)37(46)26-40(50-38)30-11-13-32(14-12-30)48-19-6-5-9-31-27-44(43-42-31)18-20-47-21-22-49-33-15-16-34-36(45)25-39(51-41(34)24-33)29-7-3-2-4-8-29/h2-4,7-8,10-17,23-27H,5-6,9,18-22H2,1H3
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n/an/an/an/a 175n/an/an/an/a



Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human 2008/MRP1 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring reduction in cell survival afte...


J Med Chem 61: 9931-9951 (2018)

More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50174854
PNG
(CHEMBL200216 | N-(((1R,3S)-3-(9-chloro-3-methyl-4-...)
Show SMILES Cc1onc2c1c(=O)n([C@H]1CCC[C@@H](CNC(=O)c3ccccc3)C1)c1cccc(Cl)c21
Show InChI InChI=1S/C25H24ClN3O3/c1-15-21-23(28-32-15)22-19(26)11-6-12-20(22)29(25(21)31)18-10-5-7-16(13-18)14-27-24(30)17-8-3-2-4-9-17/h2-4,6,8-9,11-12,16,18H,5,7,10,13-14H2,1H3,(H,27,30)/t16-,18+/m1/s1
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n/an/an/an/a 180n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1 in HeLa-T5 cells


Bioorg Med Chem Lett 15: 5526-30 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.075
BindingDB Entry DOI: 10.7270/Q2VX0G1X
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50465854
PNG
(CHEMBL4291621)
Show SMILES O=c1cc(oc2cc(OCCOCc3cn(CCOCCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4ccccc4)nn3)ccc12)-c1ccccc1
Show InChI InChI=1S/C48H43N3O10/c52-42-30-44(35-11-5-2-6-12-35)60-45-29-39(19-20-40(42)45)58-28-26-56-33-37-31-51(50-49-37)21-22-54-23-24-55-25-27-57-38-17-15-36(16-18-38)47-48(59-32-34-9-3-1-4-10-34)46(53)41-13-7-8-14-43(41)61-47/h1-20,29-31H,21-28,32-33H2
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n/an/an/an/a 193n/an/an/an/a



Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human 2008/MRP1 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring reduction in cell survival afte...


J Med Chem 61: 9931-9951 (2018)

More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM34783
PNG
((4E)-4-[[2-[2-(3,5-dimethylpyrazol-1-yl)-6-methyl-...)
Show SMILES Cc1cc(C)n(n1)-c1nc(C)cc(N=NCc2ccc(O)cc2O)n1
Show InChI InChI=1S/C17H18N6O2/c1-10-7-16(20-17(19-10)23-12(3)6-11(2)22-23)21-18-9-13-4-5-14(24)8-15(13)25/h4-8,24-25H,9H2,1-3H3/b21-18+
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44965
PNG
(5-acetoxy-2-[(amidinothio)methyl]-6-bromo-1-(p-tol...)
Show SMILES CCOC(=O)c1c(CSC(N)=N)n(-c2ccc(C)cc2)c2cc(Br)c(OC(C)=O)cc12
Show InChI InChI=1S/C22H22BrN3O4S/c1-4-29-21(28)20-15-9-19(30-13(3)27)16(23)10-17(15)26(18(20)11-31-22(24)25)14-7-5-12(2)6-8-14/h5-10H,4,11H2,1-3H3,(H3,24,25)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM45049
PNG
(4-[(2E)-2-[5-oxidanylidene-3-phenyl-1-(4-phenyl-1,...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=Nc1c([nH]n(-c2nc(cs2)-c2ccccc2)c1=O)-c1ccccc1
Show InChI InChI=1S/C24H18N6O3S2/c25-35(32,33)19-13-11-18(12-14-19)27-28-22-21(17-9-5-2-6-10-17)29-30(23(22)31)24-26-20(15-34-24)16-7-3-1-4-8-16/h1-15,29H,(H2,25,32,33)/b28-27+
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM33053
PNG
(4-(2,3-dihydro-1H-perimidin-2-yl)-2,6-dimethoxy-ph...)
Show SMILES COc1cc(cc(OC)c1O)C1Nc2cccc3cccc(N1)c23
Show InChI InChI=1S/C19H18N2O3/c1-23-15-9-12(10-16(24-2)18(15)22)19-20-13-7-3-5-11-6-4-8-14(21-19)17(11)13/h3-10,19-22H,1-2H3
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM38912
PNG
(7-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-(2,4-d...)
Show SMILES NC1C2CN(CC12)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F
Show InChI InChI=1S/C20H15F3N4O3/c21-8-1-2-15(13(22)3-8)27-7-12(20(29)30)17(28)9-4-14(23)19(25-18(9)27)26-5-10-11(6-26)16(10)24/h1-4,7,10-11,16H,5-6,24H2,(H,29,30)
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n/an/an/an/a<195n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50325541
PNG
(CHEMBL1224483 | CHEMBL1229058 | S-(2,4-Dichloroben...)
Show SMILES NC(=N)SCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C8H8Cl2N2S/c9-6-2-1-5(7(10)3-6)4-13-8(11)12/h1-3H,4H2,(H3,11,12)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM45078
PNG
(5-(1-Methyl-1H-pyrrol-2-yl)-2H-pyrazole-3-carboxyl...)
Show SMILES COc1cccc(C=NNC(=O)c2cc(n[nH]2)-c2cccn2C)c1O
Show InChI InChI=1S/C17H17N5O3/c1-22-8-4-6-14(22)12-9-13(20-19-12)17(24)21-18-10-11-5-3-7-15(25-2)16(11)23/h3-10,23H,1-2H3,(H,19,20)(H,21,24)/b18-10+
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM32135
PNG
(4-[4-(3,4-dihydroxyphenyl)-3H-1,3-thiazol-2-yliden...)
Show SMILES Oc1ccc(cc1)-c1nc(cs1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H11NO3S/c17-11-4-1-9(2-5-11)15-16-12(8-20-15)10-3-6-13(18)14(19)7-10/h1-8,17-19H
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50465872
PNG
(CHEMBL4287881)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)-c1ccc(OCCCc2cn(CCOCCOCCOc3ccc(cc3)-c3cc(=O)c4ccccc4o3)nn2)cc1
Show InChI InChI=1S/C41H36FN3O8/c42-30-11-16-35-37(47)26-40(53-41(35)24-30)29-7-12-32(13-8-29)50-18-3-4-31-27-45(44-43-31)17-19-48-20-21-49-22-23-51-33-14-9-28(10-15-33)39-25-36(46)34-5-1-2-6-38(34)52-39/h1-2,5-16,24-27H,3-4,17-23H2
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n/an/an/an/a 208n/an/an/an/a



Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human 2008/MRP1 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring reduction in cell survival afte...


J Med Chem 61: 9931-9951 (2018)

More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50465871
PNG
(CHEMBL4290503)
Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCOCCOCCOc3ccc(cc3)-c3cc(=O)c4cc(F)ccc4o3)nn2)cc1
Show InChI InChI=1S/C43H40FN3O8/c1-29-5-15-40-36(24-29)38(48)26-42(54-40)30-6-11-34(12-7-30)52-18-3-2-4-33-28-47(46-45-33)17-19-50-20-21-51-22-23-53-35-13-8-31(9-14-35)43-27-39(49)37-25-32(44)10-16-41(37)55-43/h5-16,24-28H,2-4,17-23H2,1H3
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n/an/an/an/a 217n/an/an/an/a



Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human 2008/MRP1 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring reduction in cell survival afte...


J Med Chem 61: 9931-9951 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Mus musculus)
BDBM50140803
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES Fc1ccc(CCN2CCN(CC2)c2ncnc3c(C(=O)Nc4cccnc4)c4CCCCn4c23)cc1F
Show InChI InChI=1S/C28H29F2N7O/c29-21-7-6-19(16-22(21)30)8-11-35-12-14-36(15-13-35)27-26-25(32-18-33-27)24(23-5-1-2-10-37(23)26)28(38)34-20-4-3-9-31-17-20/h3-4,6-7,9,16-18H,1-2,5,8,10-15H2,(H,34,38)
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n/an/an/an/a 235n/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Effective concentration of the compound to inhibit MRP1 in potentiation assay


J Med Chem 47: 1329-38 (2004)


Article DOI: 10.1021/jm031011g
BindingDB Entry DOI: 10.7270/Q25Q4VH0
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50465869
PNG
(CHEMBL4288367)
Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCOCCOc3ccc(cc3)-c3cc(=O)c4cc(F)ccc4o3)nn2)cc1
Show InChI InChI=1S/C41H36FN3O7/c1-27-5-15-38-34(22-27)36(46)24-40(51-38)28-6-11-32(12-7-28)49-18-3-2-4-31-26-45(44-43-31)17-19-48-20-21-50-33-13-8-29(9-14-33)41-25-37(47)35-23-30(42)10-16-39(35)52-41/h5-16,22-26H,2-4,17-21H2,1H3
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Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human 2008/MRP1 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring reduction in cell survival afte...


J Med Chem 61: 9931-9951 (2018)

More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50174852
PNG
(CHEMBL198648 | rac-N-((3-(9-chloro-3-methyl-4-oxoi...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC[C@@H]1CCC[C@@H](C1)n1c2cccc(Cl)c2c2noc(C)c2c1=O
Show InChI InChI=1S/C28H30ClN3O6/c1-15-23-25(31-38-15)24-19(29)9-6-10-20(24)32(28(23)34)18-8-5-7-16(11-18)14-30-27(33)17-12-21(35-2)26(37-4)22(13-17)36-3/h6,9-10,12-13,16,18H,5,7-8,11,14H2,1-4H3,(H,30,33)/t16-,18+/m1/s1
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Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1 in HeLa-T5 cells


Bioorg Med Chem Lett 15: 5526-30 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.075
BindingDB Entry DOI: 10.7270/Q2VX0G1X
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50465859
PNG
(CHEMBL4286699)
Show SMILES O=c1cc(oc2ccccc12)-c1ccc(OCCOCCn2cc(COCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1
Show InChI InChI=1S/C39H33N3O8/c43-34-23-38(49-36-9-5-4-8-32(34)36)28-10-12-30(13-11-28)47-20-18-45-17-16-42-25-29(40-41-42)26-46-19-21-48-31-14-15-33-35(44)24-37(50-39(33)22-31)27-6-2-1-3-7-27/h1-15,22-25H,16-21,26H2
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Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human 2008/MRP1 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring reduction in cell survival afte...


J Med Chem 61: 9931-9951 (2018)

More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50465864
PNG
(CHEMBL4282910)
Show SMILES O=c1cc(oc2cc(OCCCc3cn(CCOCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)ccc12)-c1ccccc1
Show InChI InChI=1S/C39H33N3O7/c43-34-24-36(27-8-3-1-4-9-27)48-38-22-30(13-15-32(34)38)46-18-7-12-29-26-42(41-40-29)17-19-45-20-21-47-31-14-16-33-35(44)25-37(49-39(33)23-31)28-10-5-2-6-11-28/h1-6,8-11,13-16,22-26H,7,12,17-21H2
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n/an/an/an/a 298n/an/an/an/a



Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human 2008/MRP1 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring reduction in cell survival afte...


J Med Chem 61: 9931-9951 (2018)

More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50174855
PNG
(CHEMBL437892 | rac-N-((3-(9-chloro-3-methyl-4-oxoi...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC[C@H]1CCC[C@@H](C1)n1c2cccc(Cl)c2c2noc(C)c2c1=O
Show InChI InChI=1S/C28H30ClN3O6/c1-15-23-25(31-38-15)24-19(29)9-6-10-20(24)32(28(23)34)18-8-5-7-16(11-18)14-30-27(33)17-12-21(35-2)26(37-4)22(13-17)36-3/h6,9-10,12-13,16,18H,5,7-8,11,14H2,1-4H3,(H,30,33)/t16-,18-/m0/s1
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n/an/an/an/a 420n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1 in HeLa-T5 cells


Bioorg Med Chem Lett 15: 5526-30 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.075
BindingDB Entry DOI: 10.7270/Q2VX0G1X
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM40532
PNG
(2-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-1...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)c2cc3c(n2C)c2ccccc2n(C)c3=O)c1C
Show InChI InChI=1S/C26H28N4O2/c1-17-8-7-11-21(18(17)2)29-12-14-30(15-13-29)26(32)23-16-20-24(27(23)3)19-9-5-6-10-22(19)28(4)25(20)31/h5-11,16H,12-15H2,1-4H3
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n/an/an/an/a 440n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44997
PNG
((3E)-2-amino-3-[(4-methylphenyl)hydrazinylidene]-5...)
Show SMILES Cc1ccc(cc1)N=Nc1c(N)[nH]n2c1nc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C19H16N6O/c1-12-7-9-14(10-8-12)22-23-17-18(20)24-25-16(26)11-15(21-19(17)25)13-5-3-2-4-6-13/h2-11,24H,20H2,1H3/b23-22+
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n/an/an/an/a 452n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM45037
PNG
((2Z)-2-[(2-hydroxy-5-nitro-anilino)methylene]benzo...)
Show SMILES Oc1ccc(cc1\[NH+]=C\[c-]1sc2ccccc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C15H9N2O4S/c18-12-6-5-9(17(20)21)7-11(12)16-8-14-15(19)10-3-1-2-4-13(10)22-14/h1-8,18H/q-1/p+1/b16-8+
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n/an/an/an/a 457n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM45056
PNG
(7-(difluoromethyl)-3-[(2-ethyl-1H-imidazol-1-yl)ca...)
Show SMILES CCc1nccn1C(=O)c1cnn2c(cc(nc12)-c1ccc(C)cc1)C(F)F
Show InChI InChI=1S/C20H17F2N5O/c1-3-17-23-8-9-26(17)20(28)14-11-24-27-16(18(21)22)10-15(25-19(14)27)13-6-4-12(2)5-7-13/h4-11,18H,3H2,1-2H3
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n/an/an/an/a 523n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44572
PNG
(3-(phenylmethyl)-5-[1-(phenylsulfonyl)piperidin-3-...)
Show SMILES O=c1[nH]c(nc2n(Cc3ccccc3)nnc12)C1CCCN(C1)S(=O)(=O)c1ccccc1
Show InChI InChI=1/C22H22N6O3S/c29-22-19-21(28(26-25-19)14-16-8-3-1-4-9-16)23-20(24-22)17-10-7-13-27(15-17)32(30,31)18-11-5-2-6-12-18/h1-6,8-9,11-12,17H,7,10,13-15H2,(H,23,24,29)
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n/an/an/an/a 603n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM45156
PNG
(MLS000696981 | N'-[(E)-(3-bromanyl-6-oxidanylidene...)
Show SMILES Oc1ccc(Br)cc1C=NNC(=O)CCc1ccccc1
Show InChI InChI=1S/C16H15BrN2O2/c17-14-7-8-15(20)13(10-14)11-18-19-16(21)9-6-12-4-2-1-3-5-12/h1-5,7-8,10-11,20H,6,9H2,(H,19,21)/b18-11+
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n/an/an/an/a 631n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM45283
PNG
(10H-pyrazino[2,3-b][1,4]benzothiazine | MLS0006981...)
Show SMILES N1c2ccccc2Sc2nccnc12
Show InChI InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)13-9-10(14-8)12-6-5-11-9/h1-6H,(H,11,13)
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n/an/an/an/a 637n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM45127
PNG
(2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid [1...)
Show SMILES COc1cccc(C=NNC(=O)CNC(=O)C2COc3ccccc3O2)c1O
Show InChI InChI=1/C19H19N3O6/c1-26-15-8-4-5-12(18(15)24)9-21-22-17(23)10-20-19(25)16-11-27-13-6-2-3-7-14(13)28-16/h2-9,16,24H,10-11H2,1H3,(H,20,25)(H,22,23)/b21-9+
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50174853
PNG
(CHEMBL199217 | rac-N-((3-(9-chloro-3-methyl-4-oxoi...)
Show SMILES Cc1onc2c1c(=O)n([C@H]1CCC[C@H](CNC(=O)c3ccccc3)C1)c1cccc(Cl)c21
Show InChI InChI=1S/C25H24ClN3O3/c1-15-21-23(28-32-15)22-19(26)11-6-12-20(22)29(25(21)31)18-10-5-7-16(13-18)14-27-24(30)17-8-3-2-4-9-17/h2-4,6,8-9,11-12,16,18H,5,7,10,13-14H2,1H3,(H,27,30)/t16-,18-/m0/s1
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n/an/an/an/a 640n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1 in HeLa-T5 cells


Bioorg Med Chem Lett 15: 5526-30 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.075
BindingDB Entry DOI: 10.7270/Q2VX0G1X
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM45140
PNG
(2-(3,5-dimethyl-1-pyrazolyl)-N-[(4-methoxyphenyl)m...)
Show SMILES COc1ccc(CN=Nc2cc(C)nc(n2)-n2nc(C)cc2C)cc1
Show InChI InChI=1S/C18H20N6O/c1-12-10-17(21-18(20-12)24-14(3)9-13(2)23-24)22-19-11-15-5-7-16(25-4)8-6-15/h5-10H,11H2,1-4H3/b22-19+
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n/an/an/an/a 656n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
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