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Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'leyers' and Initial = 's'   
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))
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)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50294038
PNG
(CHEMBL116734 | LY-329146 | N-(4-(6-hydroxy-3-(4-(2...)
Show SMILES CS(=O)(=O)N(c1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1)S(C)(=O)=O
Show InChI InChI=1S/C30H32N2O7S3/c1-41(35,36)32(42(2,37)38)23-10-6-22(7-11-23)30-28(26-15-12-24(33)20-27(26)40-30)29(34)21-8-13-25(14-9-21)39-19-18-31-16-4-3-5-17-31/h6-15,20,33H,3-5,16-19H2,1-2H3
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n/an/a 800n/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)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50294036
PNG
(2-(3,3-Diethylthioureido)benzo[b]thiophene-3-carbo...)
Show SMILES CCN(CC)C(=S)Nc1sc2ccccc2c1C(O)=O
Show InChI InChI=1S/C14H16N2O2S2/c1-3-16(4-2)14(19)15-12-11(13(17)18)9-7-5-6-8-10(9)20-12/h5-8H,3-4H2,1-2H3,(H,15,19)(H,17,18)
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n/an/a 932n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp an...


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50084979
PNG
(3,5,7-Trihydroxy-2-[3-(4-hydroxy-3-methoxy-phenyl)...)
Show SMILES COc1cc(ccc1O)C1Oc2cc(ccc2OC1CO)-c1oc2cc(O)cc(=O)c2c(O)c1O
Show InChI InChI=1S/C25H20O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,24,26-28,30-31H,10H2,1H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50244521
PNG
((4-[(5,6,7,8-tetrahydro-4-oxo-4H-[1]benzothieno[2,...)
Show SMILES OC(=O)c1ccc(Nc2nc3sc4CCCCc4c3c(=O)s2)cc1
Show InChI InChI=1S/C17H14N2O3S2/c20-15(21)9-5-7-10(8-6-9)18-17-19-14-13(16(22)24-17)11-3-1-2-4-12(11)23-14/h5-8H,1-4H2,(H,18,19)(H,20,21)
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n/an/a 1.21E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human MRP1 in human 2008 cells


Bioorg Med Chem Lett 18: 4761-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.127
BindingDB Entry DOI: 10.7270/Q2QZ2BWB
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50294037
PNG
(2-(3-Cyclohexyl-3-methylthioureido)benzo[b]thiophe...)
Show SMILES CN(C1CCCCC1)C(=S)Nc1sc2ccccc2c1C(O)=O
Show InChI InChI=1S/C17H20N2O2S2/c1-19(11-7-3-2-4-8-11)17(22)18-15-14(16(20)21)12-9-5-6-10-13(12)23-15/h5-6,9-11H,2-4,7-8H2,1H3,(H,18,22)(H,20,21)
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n/an/a 1.23E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp an...


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50111915
PNG
(2-(3-(9-chloro-3-methyl-4-oxoisoxazolo[4,3-c]quino...)
Show SMILES COc1cc(NC(=O)Cc2cccc(c2)-n2c3cccc(Cl)c3c3noc(C)c3c2=O)cc(OC)c1OC
Show InChI InChI=1S/C28H24ClN3O6/c1-15-24-26(31-38-15)25-19(29)9-6-10-20(25)32(28(24)34)18-8-5-7-16(11-18)12-23(33)30-17-13-21(35-2)27(37-4)22(14-17)36-3/h5-11,13-14H,12H2,1-4H3,(H,30,33)
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n/an/a 1.80E+3n/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)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50294032
PNG
(2-(3,3-Diethylthioureido)-5,6-dihydro-4H-cyclopent...)
Show SMILES CCN(CC)C(=S)Nc1sc2CCCc2c1C(O)=O
Show InChI InChI=1S/C13H18N2O2S2/c1-3-15(4-2)13(18)14-11-10(12(16)17)8-6-5-7-9(8)19-11/h3-7H2,1-2H3,(H,14,18)(H,16,17)
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n/an/a 2.56E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp an...


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50294033
PNG
(2-(3,3-Diethylthioureido)-4,5,6,7-tetrahydrobenzo[...)
Show SMILES CCN(CC)C(=S)Nc1sc2CCCCc2c1C(O)=O
Show InChI InChI=1S/C14H20N2O2S2/c1-3-16(4-2)14(19)15-12-11(13(17)18)9-7-5-6-8-10(9)20-12/h3-8H2,1-2H3,(H,15,19)(H,17,18)
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n/an/a 2.71E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp an...


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
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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n/an/a 3.30E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of recombinant MRP1 expressed in human HeLa T5 cells assessed as ATP-dependent transport of [3H]para-aminohippurate


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50294034
PNG
((R,S)-2-(3,3-Diethylthioureido)-4-methyl-4,5,6,7-t...)
Show SMILES CCN(CC)C(=S)Nc1sc2CCCC(C)c2c1C(O)=O
Show InChI InChI=1S/C15H22N2O2S2/c1-4-17(5-2)15(20)16-13-12(14(18)19)11-9(3)7-6-8-10(11)21-13/h9H,4-8H2,1-3H3,(H,16,20)(H,18,19)
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n/an/a 4.06E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp an...


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50294041
PNG
(3-(3,3-Diethylthioureido)thiophene-2-carboxylic Ac...)
Show SMILES CCN(CC)C(=O)Nc1ccsc1C(O)=O
Show InChI InChI=1S/C10H14N2O3S/c1-3-12(4-2)10(15)11-7-5-6-16-8(7)9(13)14/h5-6H,3-4H2,1-2H3,(H,11,15)(H,13,14)
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n/an/a 4.18E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp an...


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50294048
PNG
(2-(3-Cyclohexyl-3-methylthioureido)-4,5-dimethylth...)
Show SMILES CN(C1CCCCC1)C(=S)Nc1sc(C)c(C)c1C(O)=O
Show InChI InChI=1S/C15H22N2O2S2/c1-9-10(2)21-13(12(9)14(18)19)16-15(20)17(3)11-7-5-4-6-8-11/h11H,4-8H2,1-3H3,(H,16,20)(H,18,19)
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n/an/a 4.19E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp an...


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50294042
PNG
(2-(3,3-Diethylthioureido)thiophene-3-carboxylic Ac...)
Show SMILES CCN(CC)C(=S)Nc1sccc1C(O)=O
Show InChI InChI=1S/C10H14N2O2S2/c1-3-12(4-2)10(15)11-8-7(9(13)14)5-6-16-8/h5-6H,3-4H2,1-2H3,(H,11,15)(H,13,14)
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n/an/a 4.46E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp an...


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50294043
PNG
(2-(3-Cyclohexyl-3-methylthioureido)thiophene-3-car...)
Show SMILES CN(C1CCCCC1)C(=S)Nc1sccc1C(O)=O
Show InChI InChI=1S/C13H18N2O2S2/c1-15(9-5-3-2-4-6-9)13(18)14-11-10(12(16)17)7-8-19-11/h7-9H,2-6H2,1H3,(H,14,18)(H,16,17)
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n/an/a 4.51E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp an...


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50022815
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r|
Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
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n/an/a 4.78E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human MRP1 in human 2008 cells


Bioorg Med Chem Lett 18: 4761-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.127
BindingDB Entry DOI: 10.7270/Q2QZ2BWB
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50294055
PNG
(3-(3,3-Diethylureido)-2-naphthoic Acid | CHEMBL552...)
Show SMILES CCN(CC)C(=O)Nc1cc2ccccc2cc1C(O)=O
Show InChI InChI=1S/C16H18N2O3/c1-3-18(4-2)16(21)17-14-10-12-8-6-5-7-11(12)9-13(14)15(19)20/h5-10H,3-4H2,1-2H3,(H,17,21)(H,19,20)
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n/an/a 5.38E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp an...


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50294035
PNG
(2-(3,3-Diethylthioureido)-5,6,7,8-tetrahydro-4H-cy...)
Show SMILES CCN(CC)C(=S)Nc1sc2CCCCCc2c1C(O)=O
Show InChI InChI=1S/C15H22N2O2S2/c1-3-17(4-2)15(20)16-13-12(14(18)19)10-8-6-5-7-9-11(10)21-13/h3-9H2,1-2H3,(H,16,20)(H,18,19)
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n/an/a 5.97E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp an...


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50294036
PNG
(2-(3,3-Diethylthioureido)benzo[b]thiophene-3-carbo...)
Show SMILES CCN(CC)C(=S)Nc1sc2ccccc2c1C(O)=O
Show InChI InChI=1S/C14H16N2O2S2/c1-3-16(4-2)14(19)15-12-11(13(17)18)9-7-5-6-8-10(9)20-12/h5-8H,3-4H2,1-2H3,(H,15,19)(H,17,18)
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n/an/a 6.16E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MCF7 MX cells by Hoechst 33342 staining


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50052019
PNG
(CHEMBL89768 | L-660771 | MK-571 | Sodium; 3-[{3-[(...)
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)/p-1/b10-6+
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n/an/a 7.57E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human MRP1 in human 2008 cells


Bioorg Med Chem Lett 18: 4761-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.127
BindingDB Entry DOI: 10.7270/Q2QZ2BWB
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50294040
PNG
(2-(3,3-Diethylureido)-4,5,6,7-tetrahydrobenzo[b]th...)
Show SMILES CCN(CC)C(=O)Nc1sc2CCCCc2c1C(O)=O
Show InChI InChI=1S/C14H20N2O3S/c1-3-16(4-2)14(19)15-12-11(13(17)18)9-7-5-6-8-10(9)20-12/h3-8H2,1-2H3,(H,15,19)(H,17,18)
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n/an/a 8.29E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp an...


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50294034
PNG
((R,S)-2-(3,3-Diethylthioureido)-4-methyl-4,5,6,7-t...)
Show SMILES CCN(CC)C(=S)Nc1sc2CCCC(C)c2c1C(O)=O
Show InChI InChI=1S/C15H22N2O2S2/c1-4-17(5-2)15(20)16-13-12(14(18)19)11-9(3)7-6-8-10(11)21-13/h9H,4-8H2,1-3H3,(H,16,20)(H,18,19)
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n/an/a 9.10E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MCF7 MX cells by Hoechst 33342 staining


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50338982
PNG
((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...)
Show SMILES COc1ccc(CCN(C)CCC[C@@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC |r|
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/t27-/m1/s1
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n/an/a 9.66E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human MRP1 in human 2008 cells


Bioorg Med Chem Lett 18: 4761-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.127
BindingDB Entry DOI: 10.7270/Q2QZ2BWB
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50294043
PNG
(2-(3-Cyclohexyl-3-methylthioureido)thiophene-3-car...)
Show SMILES CN(C1CCCCC1)C(=S)Nc1sccc1C(O)=O
Show InChI InChI=1S/C13H18N2O2S2/c1-15(9-5-3-2-4-6-9)13(18)14-11-10(12(16)17)7-8-19-11/h7-9H,2-6H2,1H3,(H,14,18)(H,16,17)
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n/an/a 1.02E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MCF7 MX cells by Hoechst 33342 staining


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50294039
PNG
(2-(3,3-Diethylureido)-5,6-dihydro-4H-cyclopenta[b]...)
Show SMILES CCN(CC)C(=O)Nc1sc2CCCc2c1C(O)=O
Show InChI InChI=1S/C13H18N2O3S/c1-3-15(4-2)13(18)14-11-10(12(16)17)8-6-5-7-9(8)19-11/h3-7H2,1-2H3,(H,14,18)(H,16,17)
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n/an/a 1.16E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp an...


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human MRP1 in human 2008 cells


Bioorg Med Chem Lett 18: 4761-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.127
BindingDB Entry DOI: 10.7270/Q2QZ2BWB
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50294050
PNG
(2-(3-Cyclohexyl-3-methylureido)benzoic Acid | CHEM...)
Show SMILES CN(C1CCCCC1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C15H20N2O3/c1-17(11-7-3-2-4-8-11)15(20)16-13-10-6-5-9-12(13)14(18)19/h5-6,9-11H,2-4,7-8H2,1H3,(H,16,20)(H,18,19)
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n/an/a 1.23E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp an...


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Homo sapiens (Human))
BDBM50022815
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r|
Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
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n/an/a 1.36E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human MRP2 expressed in dog MDCK2 cells


Bioorg Med Chem Lett 18: 4761-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.127
BindingDB Entry DOI: 10.7270/Q2QZ2BWB
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50294045
PNG
(2-(3,3-Diethylthioureido)-5-phenylthiophene-3-carb...)
Show SMILES CCN(CC)C(=S)Nc1sc(cc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C16H18N2O2S2/c1-3-18(4-2)16(21)17-14-12(15(19)20)10-13(22-14)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H,17,21)(H,19,20)
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n/an/a 1.43E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp an...


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50294044
PNG
(2-(3,3-Diethylthioureido)-4-isopropylthiophene-3-c...)
Show SMILES CCN(CC)C(=S)Nc1scc(C(C)C)c1C(O)=O
Show InChI InChI=1S/C13H20N2O2S2/c1-5-15(6-2)13(18)14-11-10(12(16)17)9(7-19-11)8(3)4/h7-8H,5-6H2,1-4H3,(H,14,18)(H,16,17)
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n/an/a 1.45E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp an...


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50294057
PNG
(2-(3-Cyclohexyl-3-methylthioureido)benzoic Acid | ...)
Show SMILES CN(C1CCCCC1)C(=S)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C15H20N2O2S/c1-17(11-7-3-2-4-8-11)15(20)16-13-10-6-5-9-12(13)14(18)19/h5-6,9-11H,2-4,7-8H2,1H3,(H,16,20)(H,18,19)
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n/an/a 1.62E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp an...


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50294030
PNG
(4,5-Dimethyl-2-[(4-morpholinylthiocarbonyl)amino]t...)
Show SMILES Cc1sc(NC(=S)N2CCOCC2)c(C(O)=O)c1C
Show InChI InChI=1S/C12H16N2O3S2/c1-7-8(2)19-10(9(7)11(15)16)13-12(18)14-3-5-17-6-4-14/h3-6H2,1-2H3,(H,13,18)(H,15,16)
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n/an/a 1.83E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp an...


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50294061
PNG
(2-[(1-Pyrrolidinylthiocarbonyl)amino]benzoic Acid ...)
Show SMILES OC(=O)c1ccccc1NC(=S)N1CCCC1
Show InChI InChI=1S/C12H14N2O2S/c15-11(16)9-5-1-2-6-10(9)13-12(17)14-7-3-4-8-14/h1-2,5-6H,3-4,7-8H2,(H,13,17)(H,15,16)
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n/an/a 1.83E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp an...


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50244522
PNG
(4-(3-(3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b...)
Show SMILES CCOC(=O)c1c2CCCCc2sc1NC(=S)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H20N2O4S2/c1-2-25-18(24)15-13-5-3-4-6-14(13)27-16(15)21-19(26)20-12-9-7-11(8-10-12)17(22)23/h7-10H,2-6H2,1H3,(H,22,23)(H2,20,21,26)
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n/an/a 2.04E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human MRP1 in human 2008 cells


Bioorg Med Chem Lett 18: 4761-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.127
BindingDB Entry DOI: 10.7270/Q2QZ2BWB
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50294047
PNG
(2-(3,3-Diethylthioureido)-4,5-dimethylthiophene-3-...)
Show SMILES CCN(CC)C(=S)Nc1sc(C)c(C)c1C(O)=O
Show InChI InChI=1S/C12H18N2O2S2/c1-5-14(6-2)12(17)13-10-9(11(15)16)7(3)8(4)18-10/h5-6H2,1-4H3,(H,13,17)(H,15,16)
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n/an/a 2.04E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp an...


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50294062
PNG
(2-[(1-Piperidinylthiocarbonyl)amino]benzoic Acid |...)
Show SMILES OC(=O)c1ccccc1NC(=S)N1CCNCC1
Show InChI InChI=1S/C12H15N3O2S/c16-11(17)9-3-1-2-4-10(9)14-12(18)15-7-5-13-6-8-15/h1-4,13H,5-8H2,(H,14,18)(H,16,17)
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n/an/a 2.07E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp an...


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Homo sapiens (Human))
BDBM50052019
PNG
(CHEMBL89768 | L-660771 | MK-571 | Sodium; 3-[{3-[(...)
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)/p-1/b10-6+
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n/an/a 2.07E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human MRP2 expressed in dog MDCK2 cells


Bioorg Med Chem Lett 18: 4761-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.127
BindingDB Entry DOI: 10.7270/Q2QZ2BWB
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Homo sapiens (Human))
BDBM50244521
PNG
((4-[(5,6,7,8-tetrahydro-4-oxo-4H-[1]benzothieno[2,...)
Show SMILES OC(=O)c1ccc(Nc2nc3sc4CCCCc4c3c(=O)s2)cc1
Show InChI InChI=1S/C17H14N2O3S2/c20-15(21)9-5-7-10(8-6-9)18-17-19-14-13(16(22)24-17)11-3-1-2-4-12(11)23-14/h5-8H,1-4H2,(H,18,19)(H,20,21)
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n/an/a 2.15E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human MRP2 expressed in dog MDCK2 cells


Bioorg Med Chem Lett 18: 4761-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.127
BindingDB Entry DOI: 10.7270/Q2QZ2BWB
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50294056
PNG
(2-(3,3-Diethylthioureido)benzoic Acid | CHEMBL5696...)
Show SMILES CCN(CC)C(=S)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C12H16N2O2S/c1-3-14(4-2)12(17)13-10-8-6-5-7-9(10)11(15)16/h5-8H,3-4H2,1-2H3,(H,13,17)(H,15,16)
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n/an/a 2.16E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp an...


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50294053
PNG
(2-(3-Cyclohexyl-3-methylureido)-5-methylbenzoic Ac...)
Show SMILES CN(C1CCCCC1)C(=O)Nc1ccc(C)cc1C(O)=O
Show InChI InChI=1S/C16H22N2O3/c1-11-8-9-14(13(10-11)15(19)20)17-16(21)18(2)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,17,21)(H,19,20)
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n/an/a 2.28E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp an...


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50294060
PNG
(2-[3-Methyl-3-(2-phenylethyl)thioureido]benzoic Ac...)
Show SMILES CN(CCc1ccccc1)C(=S)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C17H18N2O2S/c1-19(12-11-13-7-3-2-4-8-13)17(22)18-15-10-6-5-9-14(15)16(20)21/h2-10H,11-12H2,1H3,(H,18,22)(H,20,21)
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n/an/a 2.40E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp an...


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50294049
PNG
(2-(3,3-diethylureido)benzoic acid | CHEMBL558351)
Show SMILES CCN(CC)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C12H16N2O3/c1-3-14(4-2)12(17)13-10-8-6-5-7-9(10)11(15)16/h5-8H,3-4H2,1-2H3,(H,13,17)(H,15,16)
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n/an/a 2.64E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp an...


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50294046
PNG
(2-[(4-Morpholinylthiocarbonyl)amino]-5-phenylthiop...)
Show SMILES OC(=O)c1cc(sc1NC(=S)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C16H16N2O3S2/c19-15(20)12-10-13(11-4-2-1-3-5-11)23-14(12)17-16(22)18-6-8-21-9-7-18/h1-5,10H,6-9H2,(H,17,22)(H,19,20)
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n/an/a 2.75E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp an...


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50294059
PNG
(2-(3-Benzyl-3-methylthioureido)benzoic Acid | CHEM...)
Show SMILES CN(Cc1ccccc1)C(=S)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C16H16N2O2S/c1-18(11-12-7-3-2-4-8-12)16(21)17-14-10-6-5-9-13(14)15(19)20/h2-10H,11H2,1H3,(H,17,21)(H,19,20)
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n/an/a 2.91E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp an...


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50294051
PNG
(2-(3-Benzyl-3-methylureido)benzoic Acid | CHEMBL55...)
Show SMILES CN(Cc1ccccc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C16H16N2O3/c1-18(11-12-7-3-2-4-8-12)16(21)17-14-10-6-5-9-13(14)15(19)20/h2-10H,11H2,1H3,(H,17,21)(H,19,20)
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n/an/a 4.26E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp an...


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50294052
PNG
(2-[(1-Pyrrolidinylcarbonyl)amino]benzoic Acid | CH...)
Show SMILES OC(=O)c1ccccc1NC(=O)N1CCCC1
Show InChI InChI=1S/C12H14N2O3/c15-11(16)9-5-1-2-6-10(9)13-12(17)14-7-3-4-8-14/h1-2,5-6H,3-4,7-8H2,(H,13,17)(H,15,16)
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n/an/a 4.31E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp an...


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50294054
PNG
(4,5-Dimethyl-2-[(4-morpholinylcarbonyl)amino]benzo...)
Show SMILES Cc1cc(NC(=O)N2CCOCC2)c(cc1C)C(O)=O
Show InChI InChI=1S/C14H18N2O4/c1-9-7-11(13(17)18)12(8-10(9)2)15-14(19)16-3-5-20-6-4-16/h7-8H,3-6H2,1-2H3,(H,15,19)(H,17,18)
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n/an/a 4.34E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp an...


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50294031
PNG
(5-Carbamoyl-2-(3,3-diethylthioureido)-4-methylthio...)
Show SMILES CCN(CC)C(=S)Nc1sc(C(N)=O)c(C)c1C(O)=O
Show InChI InChI=1S/C12H17N3O3S2/c1-4-15(5-2)12(19)14-10-7(11(17)18)6(3)8(20-10)9(13)16/h4-5H2,1-3H3,(H2,13,16)(H,14,19)(H,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp an...


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50294058
PNG
(2-(3-Methyl-3-phenylthioureido)benzoic Acid | CHEM...)
Show SMILES CN(C(=S)Nc1ccccc1C(O)=O)c1ccccc1
Show InChI InChI=1S/C15H14N2O2S/c1-17(11-7-3-2-4-8-11)15(20)16-13-10-6-5-9-12(13)14(18)19/h2-10H,1H3,(H,16,20)(H,18,19)
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n/an/a 1.98E+5n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp an...


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Homo sapiens (Human))
BDBM50244522
PNG
(4-(3-(3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b...)
Show SMILES CCOC(=O)c1c2CCCCc2sc1NC(=S)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H20N2O4S2/c1-2-25-18(24)15-13-5-3-4-6-14(13)27-16(15)21-19(26)20-12-9-7-11(8-10-12)17(22)23/h7-10H,2-6H2,1H3,(H,22,23)(H2,20,21,26)
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human MRP2 expressed in dog MDCK2 cells


Bioorg Med Chem Lett 18: 4761-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.127
BindingDB Entry DOI: 10.7270/Q2QZ2BWB
More data for this
Ligand-Target Pair
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