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Compile Data Set for Download or QSAR

Found 29 hits of ki data for polymerid = 50001079,8500   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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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190n/an/an/an/an/an/an/an/a



The Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human 2008/MRP1 cells by dixon plot analysis


J Med Chem 52: 5311-22 (2009)

More data for this
Ligand-Target Pair
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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200n/an/an/an/an/an/an/an/a



The Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human 2008/MRP1 cells by Lineweaver-Burke plot analysis


J Med Chem 52: 5311-22 (2009)

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


(Homo sapiens (Human))
BDBM50409816
PNG
(ABAMECTIN)
Show SMILES CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2
Show InChI InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1
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500n/an/an/an/an/an/an/an/a



Laboratoire de Pharmacologie-Toxicologie INRA

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of ATPase activity in Sf9 cells (membrane vesicles)


Chem Biol Interact 159: 169-79 (2006)

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


(Homo sapiens (Human))
BDBM50420221
PNG
(CHEMBL325447)
Show SMILES CCCCC\C=C/C\C=C/C=C/C=C/[C@H](SC[C@H](NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(O)CCCC(O)=O
Show InChI InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,12-11+,16-13+/t22?,23-,24?,25-/m0/s1
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530n/an/an/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicle from MRP1-expressing HeLa cells


Citation and Details
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50001285
PNG
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Show SMILES CN(C)C(=O)CCSC(SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+
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600n/an/an/an/an/an/an/an/a



Deutsches Krebsforschungszentrum

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of LTC4 uptake in membrane vesicle from MRP1-expressing HeLa cells


Citation and Details
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50001285
PNG
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Show SMILES CN(C)C(=O)CCSC(SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+
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600n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1-mediated transport of [3H]LTC4 expressed in human HeLa T5 cells by liquid scintillation counting


J Med Chem 52: 4586-95 (2009)

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


(Homo sapiens (Human))
BDBM50349861
PNG
(CHEMBL1813579)
Show SMILES CC1=NC(C)=C(C(C1C(=O)Nc1ccccn1)c1ccc[nH]1)C(=O)Nc1ccccn1
Show InChI InChI=1S/C23H22N6O2/c1-14-19(22(30)28-17-9-3-5-11-25-17)21(16-8-7-13-24-16)20(15(2)27-14)23(31)29-18-10-4-6-12-26-18/h3-13,19,21,24H,1-2H3,(H,25,28,30)(H,26,29,31)
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660n/an/an/an/an/an/an/an/a



Kakatiya University

Curated by ChEMBL


Assay Description
Inhibition of human MRP1 expressed in Spodoptera frugiperda Sf9 cells assessed as inhibition of NEM-GS-induced vanadate-sensitive ATPase activity mea...


Bioorg Med Chem 19: 3249-54 (2011)

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


(Homo sapiens (Human))
BDBM50349860
PNG
(CHEMBL1770422)
Show SMILES CC1=NC(C)=C(C(C1C(=O)Nc1ccccc1)c1ccco1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H23N3O3/c1-16-21(24(29)27-18-10-5-3-6-11-18)23(20-14-9-15-31-20)22(17(2)26-16)25(30)28-19-12-7-4-8-13-19/h3-15,21,23H,1-2H3,(H,27,29)(H,28,30)
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950n/an/an/an/an/an/an/an/a



Kakatiya University

Curated by ChEMBL


Assay Description
Inhibition of human MRP1 expressed in Spodoptera frugiperda Sf9 cells assessed as inhibition of NEM-GS-induced vanadate-sensitive ATPase activity mea...


Bioorg Med Chem 19: 3249-54 (2011)

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


(Homo sapiens (Human))
BDBM50368352
PNG
(Cerubidine | DAUNORUBICIN)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O
Show InChI InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1
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950n/an/an/an/an/an/an/an/a



Academic Hospital Vrije Universiteit

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in membrane vesicles from GLC4/ADR cells


Citation and Details
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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1.40E+3n/an/an/an/an/an/an/an/a



Radboud University Nijmegen Medical Centre

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of MRP1-mediated E2-17betaG transport in human MRP1 expressing HEK293 cells by Dixon plot


Drug Metab Dispos 39: 1294-302 (2011)

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


(Homo sapiens (Human))
BDBM50420218
PNG
(CHEMBL2074584)
Show SMILES C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS(O)(=O)=O
Show InChI InChI=1S/C26H43NO7S/c1-16(4-9-23(28)27-15-24(29)30)20-7-8-21-19-6-5-17-14-18(34-35(31,32)33)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22H,4-15H2,1-3H3,(H,27,28)(H,29,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicle from MRP1-expressing HeLa cells


Citation and Details
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50420219
PNG
(CHEMBL2075011)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
Show InChI InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(26)21(24)33-23-19(29)17(27)18(28)20(32-23)22(30)31/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23-,24+/m1/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicle from MRP1-expressing HeLa cells


Citation and Details
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50420220
PNG
(CHEMBL2074585)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(O)(=O)=O)ccc34)[C@@H]1CC[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
Show InChI InChI=1S/C24H32O11S/c1-24-9-8-14-13-5-3-12(35-36(30,31)32)10-11(13)2-4-15(14)16(24)6-7-17(24)33-23-20(27)18(25)19(26)21(34-23)22(28)29/h3,5,10,14-21,23,25-27H,2,4,6-9H2,1H3,(H,28,29)(H,30,31,32)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1
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1.70E+3n/an/an/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicle from MRP1-expressing HeLa cells


Citation and Details
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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2.40E+3n/an/an/an/an/an/an/an/a



The Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 transfected in human HeLa cells assessed as inhibition of [3H]LTC4 transport by rapid filtration assay


J Med Chem 52: 5311-22 (2009)

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


(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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2.40E+3n/an/an/an/an/an/an/an/a



The Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 transfected in human HeLa cells assessed as inhibition of [3H]LTC4 transport by rapid filtration assay


J Med Chem 52: 5311-22 (2009)

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


(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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2.40E+3n/an/an/an/an/an/an/an/a



The Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 transfected in human HeLa cells assessed as inhibition of [3H]LTC4 transport by rapid filtration assay


J Med Chem 52: 5311-22 (2009)

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


(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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2.40E+3n/an/an/an/an/an/an/an/a



The Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 transfected in human HeLa cells assessed as inhibition of [3H]LTC4 transport by rapid filtration assay


J Med Chem 52: 5311-22 (2009)

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


(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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2.40E+3n/an/an/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of LTC4 uptake in membrane vesicle from MRP1-expressing HeLa cells


Citation and Details
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM23419
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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2.40E+3n/an/an/an/an/an/an/an/a



The Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 transfected in human HeLa cells assessed as inhibition of [3H]LTC4 transport by rapid filtration assay


J Med Chem 52: 5311-22 (2009)

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


(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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4.90E+3n/an/an/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of LTC4 uptake (+3mM GSH) in membrane vesicle from MRP1-expressing HeLa cells


Citation and Details
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50033767
PNG
(3,3',4',5',7-pentahydroxy flavone | 3,7,3',4',5'-P...)
Show SMILES Oc1ccc2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,16-18,20-21H
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PubMed
5.00E+3n/an/an/an/an/an/an/an/a



The Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 transfected in MDCK2 cells assessed as inhibition of calcein transport


J Med Chem 52: 5311-22 (2009)

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


(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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8.10E+3n/an/an/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of LTC4 uptake in membrane vesicle from MRP1-expressing HeLa cells


Citation and Details
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(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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1.32E+4n/an/an/an/an/an/an/an/a



The Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human 2008/MRP1 cells by Lineweaver-Burke plot analysis


J Med Chem 52: 5311-22 (2009)

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


(Homo sapiens (Human))
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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1.33E+4n/an/an/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of LTC4 uptake in membrane vesicle from MRP1-expressing HeLa cells


Citation and Details
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(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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1.34E+4n/an/an/an/an/an/an/an/a



The Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human 2008/MRP1 cells by dixon plot analysis


J Med Chem 52: 5311-22 (2009)

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


(Homo sapiens (Human))
BDBM23419
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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2.08E+4n/an/an/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of LTC4 uptake (+3mM GSH) in membrane vesicle from MRP1-expressing HeLa cells


Citation and Details
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50344959
PNG
(17beta-Estradiol-17-(beta-D-glucuronide) | CHEMBL1...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
Show InChI InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(25)10-11(13)2-4-15(14)16(24)6-7-17(24)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1
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2.20E+4n/an/an/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of LTC4 uptake in membrane vesicle from MRP1-expressing HeLa cells


Citation and Details
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50001285
PNG
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Show SMILES CN(C)C(=O)CCSC(SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+
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1.35E+5n/an/an/an/an/an/an/an/a



The Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human 2008/MRP1 cells by Lineweaver-Burke plot analysis


J Med Chem 52: 5311-22 (2009)

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


(Homo sapiens (Human))
BDBM50001285
PNG
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Show SMILES CN(C)C(=O)CCSC(SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+
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1.40E+5n/an/an/an/an/an/an/an/a



The Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human 2008/MRP1 cells by dixon plot analysis


J Med Chem 52: 5311-22 (2009)

More data for this
Ligand-Target Pair