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Compile Data Set for Download or QSAR

Found 895 hits of ec50 data for polymerid = 50001079,8500   
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-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-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
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
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
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
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-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-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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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-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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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-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-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)
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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-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)
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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-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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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-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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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-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
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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
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-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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n/an/an/an/a 250n/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-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-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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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-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
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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-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-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-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=1S/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-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)
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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-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-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=1S/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)
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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-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-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
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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
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM45193
PNG
((3,5-Dimethyl-4-nitro-pyrazol-1-yl)-acetic acid [1...)
Show SMILES COc1cccc(\C=[NH+]\NC(=O)Cn2nc(C)c(c2C)[N+]([O-])=O)c1[O-]
Show InChI InChI=1S/C15H17N5O5/c1-9-14(20(23)24)10(2)19(18-9)8-13(21)17-16-7-11-5-4-6-12(25-3)15(11)22/h4-7,22H,8H2,1-3H3,(H,17,21)/b16-7+
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n/an/an/an/a 673n/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-associated protein 1


(Homo sapiens (Human))
BDBM44983
PNG
(4-(1-oxoheptylamino)-N-(3-pyridinylmethylideneamin...)
Show SMILES CCCCCCC(=O)Nc1ccc(cc1)C(=O)NN=Cc1cccnc1
Show InChI InChI=1S/C20H24N4O2/c1-2-3-4-5-8-19(25)23-18-11-9-17(10-12-18)20(26)24-22-15-16-7-6-13-21-14-16/h6-7,9-15H,2-5,8H2,1H3,(H,23,25)(H,24,26)
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n/an/an/an/a 694n/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-associated protein 1


(Homo sapiens (Human))
BDBM45146
PNG
(2-[3-(7-Methyl-indolo[2,3-b]quinoxalin-6-yl)-propy...)
Show SMILES Cc1cccc2c3nc4ccccc4nc3n(CCCN3C(=O)c4ccccc4C3=O)c12
Show InChI InChI=1S/C26H20N4O2/c1-16-8-6-11-19-22-24(28-21-13-5-4-12-20(21)27-22)29(23(16)19)14-7-15-30-25(31)17-9-2-3-10-18(17)26(30)32/h2-6,8-13H,7,14-15H2,1H3
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n/an/an/an/a 717n/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-associated protein 1


(Homo sapiens (Human))
BDBM45002
PNG
(Benzoic acid 4-bromo-2-[(5-methyl-2H-pyrazole-3-ca...)
Show SMILES Cc1cc([nH]n1)C(=O)NN=Cc1cc(Br)ccc1OC(=O)c1ccccc1
Show InChI InChI=1S/C19H15BrN4O3/c1-12-9-16(23-22-12)18(25)24-21-11-14-10-15(20)7-8-17(14)27-19(26)13-5-3-2-4-6-13/h2-11H,1H3,(H,22,23)(H,24,25)
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n/an/an/an/a 808n/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-associated protein 1


(Homo sapiens (Human))
BDBM45135
PNG
(3-[N'-[(E)-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-...)
Show SMILES COc1ccc(Cc2nnc(N=NCc3ccc(O)cc3O)[nH]c2=O)cc1OC
Show InChI InChI=1S/C19H19N5O5/c1-28-16-6-3-11(8-17(16)29-2)7-14-18(27)21-19(24-22-14)23-20-10-12-4-5-13(25)9-15(12)26/h3-6,8-9,25-26H,7,10H2,1-2H3,(H,21,24,27)
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n/an/an/an/a 836n/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-associated protein 1


(Homo sapiens (Human))
BDBM33084
PNG
(5-[4-(dimethylamino)phenyl]imino-1-(2-hydroxyethyl...)
Show SMILES CN(C)c1ccc(cc1)\N=C1/C(C)=C(C#N)C(=O)N(CCO)C1=O
Show InChI InChI=1S/C17H18N4O3/c1-11-14(10-18)16(23)21(8-9-22)17(24)15(11)19-12-4-6-13(7-5-12)20(2)3/h4-7,22H,8-9H2,1-3H3/b19-15+
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n/an/an/an/a 841n/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-associated protein 1


(Homo sapiens (Human))
BDBM44651
PNG
(1,3-dimethyl-8-[(2-methyl-1-piperidinyl)methyl]-7-...)
Show SMILES CCCCCn1c(CN2CCCCC2C)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C19H31N5O2/c1-5-6-8-12-24-15(13-23-11-9-7-10-14(23)2)20-17-16(24)18(25)22(4)19(26)21(17)3/h14H,5-13H2,1-4H3
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n/an/an/an/a 883n/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-associated protein 1


(Homo sapiens (Human))
BDBM44847
PNG
((4-Benzhydryl-piperazin-1-yl)-(5-thiophen-2-yl-7-t...)
Show SMILES FC(F)(F)c1cc(nc2c(cnn12)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1)-c1cccs1
Show InChI InChI=1S/C29H24F3N5OS/c30-29(31,32)25-18-23(24-12-7-17-39-24)34-27-22(19-33-37(25)27)28(38)36-15-13-35(14-16-36)26(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-12,17-19,26H,13-16H2
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n/an/an/an/a 916n/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-associated protein 1


(Homo sapiens (Human))
BDBM33090
PNG
((4E)-4-[[(2-ethylimino-4-methyl-1,3-thiazol-3-yl)a...)
Show SMILES CCN=c1scc(C)n1N=Cc1ccc(O)c(O)c1O
Show InChI InChI=1S/C13H15N3O3S/c1-3-14-13-16(8(2)7-20-13)15-6-9-4-5-10(17)12(19)11(9)18/h4-7,17-19H,3H2,1-2H3
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n/an/an/an/a 985n/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-associated protein 1


(Homo sapiens (Human))
BDBM44727
PNG
(2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]c...)
Show SMILES Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)c1cc2c(n1C)c1ccccc1n(C)c2=O
Show InChI InChI=1S/C25H25ClN4O2/c1-16-8-9-17(26)14-21(16)29-10-12-30(13-11-29)25(32)22-15-19-23(27(22)2)18-6-4-5-7-20(18)28(3)24(19)31/h4-9,14-15H,10-13H2,1-3H3
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n/an/an/an/a 1.00E+3n/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-associated protein 1


(Homo sapiens (Human))
BDBM45160
PNG
(MLS000723318 | N-(4-acetylphenyl)-4-[(5Z)-4-keto-5...)
Show SMILES CC(=O)c1ccc(NC(=O)CCCN2C(=S)SC(=CC(C)=Cc3ccccc3)C2=O)cc1
Show InChI InChI=1S/C25H24N2O3S2/c1-17(15-19-7-4-3-5-8-19)16-22-24(30)27(25(31)32-22)14-6-9-23(29)26-21-12-10-20(11-13-21)18(2)28/h3-5,7-8,10-13,15-16H,6,9,14H2,1-2H3,(H,26,29)
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n/an/an/an/a 1.01E+3n/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-associated protein 1


(Homo sapiens (Human))
BDBM45090
PNG
(1-(2-Diethylamino-ethyl)-1-(6,8-dimethyl-2-oxo-1,2...)
Show SMILES CCN(CC)CCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=S)NCc1ccco1
Show InChI InChI=1S/C24H32N4O2S/c1-5-27(6-2)9-10-28(24(31)25-15-21-8-7-11-30-21)16-20-14-19-13-17(3)12-18(4)22(19)26-23(20)29/h7-8,11-14H,5-6,9-10,15-16H2,1-4H3,(H,25,31)(H,26,29)
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n/an/an/an/a 1.03E+3n/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-associated protein 1


(Homo sapiens (Human))
BDBM45138
PNG
(2-N-benzyl-4-N-[(2-chlorophenyl)methylideneamino]-...)
Show SMILES Cc1cc(N=NCc2ccccc2Cl)nc(NCc2ccccc2)n1
Show InChI InChI=1S/C19H18ClN5/c1-14-11-18(25-22-13-16-9-5-6-10-17(16)20)24-19(23-14)21-12-15-7-3-2-4-8-15/h2-11H,12-13H2,1H3,(H,21,23,24)
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n/an/an/an/a 1.08E+3n/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-associated protein 1


(Homo sapiens (Human))
BDBM44973
PNG
(MLS000324799 | N-(4-chlorophenyl)-2-(6-ethyl-4-ket...)
Show SMILES CCC1(C)Cc2c(CO1)sc1nnn(CC(=O)Nc3ccc(Cl)cc3)c(=O)c21
Show InChI InChI=1S/C19H19ClN4O3S/c1-3-19(2)8-13-14(10-27-19)28-17-16(13)18(26)24(23-22-17)9-15(25)21-12-6-4-11(20)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,21,25)
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n/an/an/an/a 1.09E+3n/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-associated protein 1


(Homo sapiens (Human))
BDBM44683
PNG
(2-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino...)
Show SMILES CCOC(=O)c1c(NC(=O)CSc2nnc[nH]2)scc1-c1cccs1
Show InChI InChI=1S/C15H14N4O3S3/c1-2-22-14(21)12-9(10-4-3-5-23-10)6-24-13(12)18-11(20)7-25-15-16-8-17-19-15/h3-6,8H,2,7H2,1H3,(H,18,20)(H,16,17,19)
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n/an/an/an/a 1.09E+3n/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-associated protein 1


(Homo sapiens (Human))
BDBM45144
PNG
(3-Amino-2-(4-methoxy-benzoyl)-4-(4-methoxycarbonyl...)
Show SMILES CCOC(=O)C1C(c2c(N)c(sc2N=C1C)C(=O)c1ccc(OC)cc1)c1ccc(cc1)C(=O)OC
Show InChI InChI=1S/C27H26N2O6S/c1-5-35-27(32)19-14(2)29-25-21(20(19)15-6-8-17(9-7-15)26(31)34-4)22(28)24(36-25)23(30)16-10-12-18(33-3)13-11-16/h6-13,19-20H,5,28H2,1-4H3
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n/an/an/an/a 1.10E+3n/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-associated protein 1


(Homo sapiens (Human))
BDBM50030673
PNG
(CHEMBL3342124)
Show SMILES COCCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C29H30N2O8S/c1-15-21(29(33)39-12-11-34-2)22(17-13-19(36-4)26(38-6)20(14-17)37-5)23-24(30)27(40-28(23)31-15)25(32)16-7-9-18(35-3)10-8-16/h7-10,13-14H,11-12,30H2,1-6H3
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n/an/an/an/a 1.10E+3n/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Modulation of MRP1 mediated drug efflux in doxorubicin-resistant human H69 cells assessed as accumulation of calcein AM incubated for 15 mins prior t...


Bioorg Med Chem 22: 5860-70 (2014)


Article DOI: 10.1016/j.bmc.2014.09.023
BindingDB Entry DOI: 10.7270/Q24F1SBQ
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM44881
PNG
(1-[bis(4-morpholinyl)phosphoryl]-N'-(4-methoxyphen...)
Show SMILES COc1ccc([N-]C(=[NH+]Nc2ccc(cc2)[N+]([O-])=O)P(=O)(N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C22H28N6O6P/c1-32-21-8-4-18(5-9-21)23-22(25-24-19-2-6-20(7-3-19)28(29)30)35(31,26-10-14-33-15-11-26)27-12-16-34-17-13-27/h2-9,24H,10-17H2,1H3/q-1/p+1
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n/an/an/an/a 1.12E+3n/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-associated protein 1


(Homo sapiens (Human))
BDBM44904
PNG
((Z)-3-(4-hydroxyanilino)-2-nitro-2-propenoic acid ...)
Show SMILES COC(=O)C(C=Nc1ccc(O)cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H10N2O5/c1-17-10(14)9(12(15)16)6-11-7-2-4-8(13)5-3-7/h2-6,9,13H,1H3
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n/an/an/an/a 1.12E+3n/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-associated protein 1


(Homo sapiens (Human))
BDBM40570
PNG
(2-(2-furanyl)-2,3-dihydro-1H-perimidine | 2-(2-fur...)
Show SMILES N1C(Nc2cccc3cccc1c23)c1ccco1
Show InChI InChI=1S/C15H12N2O/c1-4-10-5-2-7-12-14(10)11(6-1)16-15(17-12)13-8-3-9-18-13/h1-9,15-17H
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n/an/an/an/a 1.13E+3n/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-associated protein 1


(Homo sapiens (Human))
BDBM37361
PNG
(8-[2-(4-Methoxy-phenyl)-5-phenyl-pyrazolo[1,5-a]py...)
Show SMILES COc1ccc(cc1)-c1cc2nc(cc(N3CCC4(CC3)OCCO4)n2n1)-c1ccccc1
Show InChI InChI=1S/C26H26N4O3/c1-31-21-9-7-20(8-10-21)23-17-24-27-22(19-5-3-2-4-6-19)18-25(30(24)28-23)29-13-11-26(12-14-29)32-15-16-33-26/h2-10,17-18H,11-16H2,1H3
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n/an/an/an/a 1.16E+3n/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-associated protein 1


(Homo sapiens (Human))
BDBM45025
PNG
(1,6,6-triphenyl-3-(p-tolyl)-3-azabicyclo[3.1.0]hex...)
Show SMILES Cc1ccc(cc1)N1C(=O)C2C(C1=O)(c1ccccc1)C2(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H23NO2/c1-21-17-19-25(20-18-21)31-27(32)26-29(22-11-5-2-6-12-22,23-13-7-3-8-14-23)30(26,28(31)33)24-15-9-4-10-16-24/h2-20,26H,1H3
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n/an/an/an/a 1.16E+3n/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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