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Compile Data Set for Download or QSAR

Found 82 hits Enz. Inhib. hit(s) with Target = 'Canalicular multispecific organic anion transporter 1' AND taxid = 9606   
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 2 (MRP2)


(Homo sapiens (Human))
BDBM50420182
PNG
(CHEMBL2074650)
Show SMILES C[C@@H]1C[C@@H](C)OP(=O)(O1)c1c(C)nc(C)c(C(=O)OCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)c1-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C38H43N4O7P/c1-26-24-27(2)49-50(46,48-26)37-29(4)39-28(3)34(35(37)32-16-11-17-33(25-32)42(44)45)38(43)47-23-22-40-18-20-41(21-19-40)36(30-12-7-5-8-13-30)31-14-9-6-10-15-31/h5-17,25-27,36H,18-24H2,1-4H3/t26-,27-/m1/s1
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3.70E+3n/an/an/an/an/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of LTC4 uptake in membrane vesicles from MRP2-expressing LLC PK1 cells


Mol Pharmacol 56: 1219-28 (1999)


Article DOI: 10.1124/mol.56.6.1219
BindingDB Entry DOI: 10.7270/Q2RJ4KQX
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(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
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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4.70E+3n/an/an/an/an/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of LTC4 uptake in membrane vesicles from MRP2-expressing LLC PK1 cells


Mol Pharmacol 56: 1219-28 (1999)


Article DOI: 10.1124/mol.56.6.1219
BindingDB Entry DOI: 10.7270/Q2RJ4KQX
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(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
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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8.11E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Vinblastine transepithelial transport (basal to apical) in MRP2-expressing MDCK cells


Pharm Res 19: 773-9 (2002)


Article DOI: 10.1023/a:1016192413308
BindingDB Entry DOI: 10.7270/Q2765GMM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM86671
PNG
(CAS_60719 | MK 571 | NSC_60719)
Show SMILES CN(C)C(=O)CCSC(SCCC(O)=O)c1cccc(C=Cc2ccc3ccc(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)
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8.50E+3n/an/an/an/an/an/an/an/a



German Cancer Research Center

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 549-56 (2005)


Article DOI: 10.1124/jpet.104.081224
BindingDB Entry DOI: 10.7270/Q2J38R4J
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(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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1.31E+4n/an/an/an/an/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of LTC4 uptake in membrane vesicles from MRP2-expressing LLC PK1 cells


Mol Pharmacol 56: 1219-28 (1999)


Article DOI: 10.1124/mol.56.6.1219
BindingDB Entry DOI: 10.7270/Q2RJ4KQX
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(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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2.64E+4n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Vinblastine transepithelial transport (basal to apical) in MRP2-expressing MDCK cells


Pharm Res 19: 773-9 (2002)


Article DOI: 10.1023/a:1016192413308
BindingDB Entry DOI: 10.7270/Q2765GMM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50390978
PNG
(VALSPODAR)
Show SMILES C\C=C\C[C@@H](C)C(=O)[C@@H]1N(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)C(=O)[C@@H](NC1=O)C(C)C)C(C)C
Show InChI InChI=1S/C63H111N11O12/c1-26-27-28-41(16)53(76)52-57(80)67-49(38(10)11)61(84)68(19)33-48(75)69(20)44(29-34(2)3)56(79)66-50(39(12)13)62(85)70(21)45(30-35(4)5)55(78)64-42(17)54(77)65-43(18)58(81)71(22)46(31-36(6)7)59(82)72(23)47(32-37(8)9)60(83)73(24)51(40(14)15)63(86)74(52)25/h26-27,34-47,49-52H,28-33H2,1-25H3,(H,64,78)(H,65,77)(H,66,79)(H,67,80)/b27-26+/t41-,42+,43-,44+,45+,46+,47+,49+,50+,51+,52+/m1/s1
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2.89E+4n/an/an/an/an/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of LTC4 uptake in membrane vesicles from MRP2-expressing LLC PK1 cells


Mol Pharmacol 56: 1219-28 (1999)


Article DOI: 10.1124/mol.56.6.1219
BindingDB Entry DOI: 10.7270/Q2RJ4KQX
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(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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4.94E+4n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Vinblastine transepithelial transport (basal to apical) in MRP2-expressing MDCK cells


Pharm Res 19: 773-9 (2002)


Article DOI: 10.1023/a:1016192413308
BindingDB Entry DOI: 10.7270/Q2765GMM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50017712
PNG
((-)-reserpine | (3beta,16beta,17alpha,18beta,20alp...)
Show SMILES CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1
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2.95E+5n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Vinblastine transepithelial transport (basal to apical) in MRP2-expressing MDCK cells


Pharm Res 19: 773-9 (2002)


Article DOI: 10.1023/a:1016192413308
BindingDB Entry DOI: 10.7270/Q2765GMM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50127140
PNG
((-)-etoposide | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-d...)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12
Show InChI InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1
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7.56E+5n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Vinblastine transepithelial transport (basal to apical) in MRP2-expressing MDCK cells


Pharm Res 19: 773-9 (2002)


Article DOI: 10.1023/a:1016192413308
BindingDB Entry DOI: 10.7270/Q2765GMM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50139772
PNG
(22-oxovincaleukoblastine | leurocristine | vincris...)
Show SMILES CC[C@]1(O)C[C@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C=O)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC
Show InChI InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1
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8.02E+5n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Vinblastine transepithelial transport (basal to apical) in MRP2-expressing MDCK cells


Pharm Res 19: 773-9 (2002)


Article DOI: 10.1023/a:1016192413308
BindingDB Entry DOI: 10.7270/Q2765GMM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50103642
PNG
(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
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n/an/a 7.80n/an/an/an/an/an/a



University Hospital Heidelberg

Curated by ChEMBL


Assay Description
Inhibition of MRP2 expressed in MDCK2 cells assessed as cell growth inhibition by calcein and pheophorbide A efflux assays


Antimicrob Agents Chemother 55: 1282-4 (2011)


Article DOI: 10.1128/AAC.01527-10
BindingDB Entry DOI: 10.7270/Q27S7P2J
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50420229
PNG
(CHEMBL2074720)
Show SMILES CC1=C(C=C)\C(NC1=O)=C\c1[nH]c(Cc2[nH]c(\C=C3/NC(=O)C(C=C)=C3C)c(C)c2CCC(O)=O)c(CCC(=O)O[C@@H]2OC([C@@H](O)C(O)C2O)C(O)=O)c1C
Show InChI InChI=1S/C39H44N4O12/c1-7-20-19(6)36(50)43-27(20)14-25-18(5)23(10-12-31(46)54-39-34(49)32(47)33(48)35(55-39)38(52)53)29(41-25)15-28-22(9-11-30(44)45)17(4)24(40-28)13-26-16(3)21(8-2)37(51)42-26/h7-8,13-14,32-35,39-41,47-49H,1-2,9-12,15H2,3-6H3,(H,42,51)(H,43,50)(H,44,45)(H,52,53)/b26-13-,27-14-/t32?,33-,34?,35?,39+/m0/s1
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n/an/a 280n/an/an/an/an/an/a



Deutsches Krebsforschungszentrum

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of LTC4 uptake (LTC4: 0.05 uM) in HepG2 cells


Biochem J 327: 305-10 (1997)


Article DOI: 10.1042/bj3270305
BindingDB Entry DOI: 10.7270/Q2ZP47D0
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50420230
PNG
(CHEMBL2074750)
Show SMILES CC1=C(C=C)\C(NC1=O)=C\c1[nH]c(Cc2[nH]c(\C=C3/NC(=O)C(C=C)=C3C)c(C)c2CCC(=O)OC2OC([C@H](O)C(O)C2O)C(O)=O)c(CCC(=O)O[C@@H]2OC([C@@H](O)C(O)C2O)C(O)=O)c1C
Show InChI InChI=1S/C45H52N4O18/c1-7-20-19(6)40(58)49-27(20)14-25-18(5)23(10-12-31(51)65-45-37(57)33(53)35(55)39(67-45)43(62)63)29(47-25)15-28-22(17(4)24(46-28)13-26-16(3)21(8-2)41(59)48-26)9-11-30(50)64-44-36(56)32(52)34(54)38(66-44)42(60)61/h7-8,13-14,32-39,44-47,52-57H,1-2,9-12,15H2,3-6H3,(H,48,59)(H,49,58)(H,60,61)(H,62,63)/b26-13-,27-14-/t32?,33?,34-,35+,36?,37?,38?,39?,44?,45-/m1/s1
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n/an/a 400n/an/an/an/an/an/a



Deutsches Krebsforschungszentrum

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of LTC4 uptake (LTC4: 0.05 uM) in HepG2 cells


Biochem J 327: 305-10 (1997)


Article DOI: 10.1042/bj3270305
BindingDB Entry DOI: 10.7270/Q2ZP47D0
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50013920
PNG
(3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...)
Show SMILES CN(C)C(=O)CCS[C@H](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+/t26-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 overexpressed in MDCK cells at 100 uM by flow cytometric-based chloromethylfluorescein-diacetate accumulation assay


J Med Chem 52: 1190-7 (2009)


Article DOI: 10.1021/jm8013822
BindingDB Entry DOI: 10.7270/Q2VH5PQ4
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM172718
PNG
(US9090657, Cyclosporine A, 1)
Show SMILES CCC1NC(=O)C(C(O)C(C)C\C=C\C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
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+
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n/an/a 3.10E+3n/an/an/an/an/an/a



NEUROVIVE PHARMACEUTICAL AB

US Patent


Assay Description
To assess the inhibition of the MRP2, MRP3 and BSEP efflux transporters, an in vitro vesicular transporter assay from Solvo Biotechnology Inc. was us...


US Patent US9090657 (2015)


BindingDB Entry DOI: 10.7270/Q22Z148H
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202456
PNG
(CHEMBL3974624)
Show SMILES COc1ccc2n(CC3CCCCC3)cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1
Show InChI InChI=1S/C25H25NO5/c1-30-18-7-8-20-19(12-18)16(14-26(20)13-15-5-3-2-4-6-15)9-23-25(29)24-21(28)10-17(27)11-22(24)31-23/h7-12,14-15,27-28H,2-6,13H2,1H3/b23-9-
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n/an/a 4.10E+3n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM172718
PNG
(US9090657, Cyclosporine A, 1)
Show SMILES CCC1NC(=O)C(C(O)C(C)C\C=C\C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
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+
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n/an/a 4.10E+3n/an/an/an/an/an/a



NEUROVIVE PHARMACEUTICAL AB

US Patent


Assay Description
To assess the inhibition of the MRP2, MRP3 and BSEP efflux transporters, an in vitro vesicular transporter assay from Solvo Biotechnology Inc. was us...


US Patent US9090657 (2015)


BindingDB Entry DOI: 10.7270/Q22Z148H
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202441
PNG
(CHEMBL3263914)
Show SMILES CCCCn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2cccc(C)c12
Show InChI InChI=1S/C22H21NO4/c1-3-4-8-23-12-14(16-7-5-6-13(2)21(16)23)9-19-22(26)20-17(25)10-15(24)11-18(20)27-19/h5-7,9-12,24-25H,3-4,8H2,1-2H3/b19-9-
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n/an/a 4.50E+3n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202445
PNG
(CHEMBL3921707)
Show SMILES Cn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2cc(Br)ccc12
Show InChI InChI=1S/C18H12BrNO4/c1-20-8-9(12-5-10(19)2-3-13(12)20)4-16-18(23)17-14(22)6-11(21)7-15(17)24-16/h2-8,21-22H,1H3/b16-4-
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n/an/a 4.50E+3n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202442
PNG
(CHEMBL3263916)
Show SMILES CCCCn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2cc(C)ccc12
Show InChI InChI=1S/C22H21NO4/c1-3-4-7-23-12-14(16-8-13(2)5-6-17(16)23)9-20-22(26)21-18(25)10-15(24)11-19(21)27-20/h5-6,8-12,24-25H,3-4,7H2,1-2H3/b20-9-
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n/an/a 4.80E+3n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202454
PNG
(CHEMBL3263915)
Show SMILES CCCCn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2cccc(OC)c12
Show InChI InChI=1S/C22H21NO5/c1-3-4-8-23-12-13(15-6-5-7-17(27-2)21(15)23)9-19-22(26)20-16(25)10-14(24)11-18(20)28-19/h5-7,9-12,24-25H,3-4,8H2,1-2H3/b19-9-
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n/an/a 6.30E+3n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202446
PNG
(CHEMBL3964042)
Show SMILES COc1ccc2n(Cc3cccc(Br)c3)cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1
Show InChI InChI=1S/C25H18BrNO5/c1-31-18-5-6-20-19(11-18)15(13-27(20)12-14-3-2-4-16(26)7-14)8-23-25(30)24-21(29)9-17(28)10-22(24)32-23/h2-11,13,28-29H,12H2,1H3/b23-8-
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n/an/a 7.30E+3n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202451
PNG
(CHEMBL3945493)
Show SMILES CCCCn1c(\C=C2/Oc3cc(O)cc(O)c3C2=O)c(C)c2ccccc12
Show InChI InChI=1S/C22H21NO4/c1-3-4-9-23-16-8-6-5-7-15(16)13(2)17(23)12-20-22(26)21-18(25)10-14(24)11-19(21)27-20/h5-8,10-12,24-25H,3-4,9H2,1-2H3/b20-12-
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n/an/a 8.20E+3n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202452
PNG
(CHEMBL3263569)
Show SMILES CCCCn1c(\C=C2/Oc3cc(O)cc(O)c3C2=O)cc2ccccc12
Show InChI InChI=1S/C21H19NO4/c1-2-3-8-22-14(9-13-6-4-5-7-16(13)22)10-19-21(25)20-17(24)11-15(23)12-18(20)26-19/h4-7,9-12,23-24H,2-3,8H2,1H3/b19-10-
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n/an/a 9.00E+3n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50013920
PNG
(3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...)
Show SMILES CN(C)C(=O)CCS[C@H](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+/t26-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of human MRP2-mediated estradiol-17beta-glucuronide transport in Sf9 cells inverted membrane vesicles


J Med Chem 51: 3275-87 (2008)


Article DOI: 10.1021/jm7015683
BindingDB Entry DOI: 10.7270/Q2HD7VDS
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of human MRP2


J Med Chem 55: 4740-63 (2012)


Article DOI: 10.1021/jm300212s
BindingDB Entry DOI: 10.7270/Q2765GFC
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202453
PNG
(CHEMBL3263906)
Show SMILES Oc1cc2O\C(=C/c3cn(CC4CCCCC4)c4ccccc34)C(=O)c2c(O)c1
Show InChI InChI=1S/C24H23NO4/c26-17-11-20(27)23-21(12-17)29-22(24(23)28)10-16-14-25(13-15-6-2-1-3-7-15)19-9-5-4-8-18(16)19/h4-5,8-12,14-15,26-27H,1-3,6-7,13H2/b22-10-
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n/an/a 1.05E+4n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202459
PNG
(CHEMBL3263904)
Show SMILES CC(C)=CCn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2ccccc12
Show InChI InChI=1S/C22H19NO4/c1-13(2)7-8-23-12-14(16-5-3-4-6-17(16)23)9-20-22(26)21-18(25)10-15(24)11-19(21)27-20/h3-7,9-12,24-25H,8H2,1-2H3/b20-9-
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n/an/a 1.06E+4n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202458
PNG
(CHEMBL3263570)
Show SMILES Cn1c(\C=C2/Oc3cc(O)cc(O)c3C2=O)cc2ccccc12
Show InChI InChI=1S/C18H13NO4/c1-19-11(6-10-4-2-3-5-13(10)19)7-16-18(22)17-14(21)8-12(20)9-15(17)23-16/h2-9,20-21H,1H3/b16-7-
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n/an/a 1.11E+4n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202448
PNG
(CHEMBL3263913)
Show SMILES CCCCn1c(C)c(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2ccccc12
Show InChI InChI=1S/C22H21NO4/c1-3-4-9-23-13(2)16(15-7-5-6-8-17(15)23)12-20-22(26)21-18(25)10-14(24)11-19(21)27-20/h5-8,10-12,24-25H,3-4,9H2,1-2H3/b20-12-
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n/an/a 1.14E+4n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50379653
PNG
(CHEMBL2013174 | GS-9451)
Show SMILES CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@@H]2C[C@@H]2C1)C(C)(C)C)Oc1cc(nc2c(Cl)c(OCCN3CCOCC3)ccc12)-c1csc(NC(C)C)n1)C(O)=O
Show InChI InChI=1S/C45H60ClN7O9S/c1-7-27-21-45(27,41(56)57)51-39(54)33-19-29(22-53(33)40(55)38(44(4,5)6)50-43(58)62-28-17-25-16-26(25)18-28)61-35-20-31(32-23-63-42(49-32)47-24(2)3)48-37-30(35)8-9-34(36(37)46)60-15-12-52-10-13-59-14-11-52/h8-9,20,23-29,33,38H,7,10-19,21-22H2,1-6H3,(H,47,49)(H,50,58)(H,51,54)(H,56,57)/t25-,26+,27-,28+,29-,33+,38-,45-/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of MRP2


Bioorg Med Chem Lett 22: 2629-34 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.017
BindingDB Entry DOI: 10.7270/Q2ZP473Z
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202450
PNG
(CHEMBL3263907)
Show SMILES Oc1cc2O\C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(=O)c2c(O)c1
Show InChI InChI=1S/C24H17NO4/c26-17-11-20(27)23-21(12-17)29-22(24(23)28)10-16-14-25(13-15-6-2-1-3-7-15)19-9-5-4-8-18(16)19/h1-12,14,26-27H,13H2/b22-10-
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n/an/a 1.22E+4n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(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
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 2 (MRP2)


(Homo sapiens (Human))
BDBM50202447
PNG
(CHEMBL3259861)
Show SMILES CCCCn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2cc(OC)ccc12
Show InChI InChI=1S/C22H21NO5/c1-3-4-7-23-12-13(16-11-15(27-2)5-6-17(16)23)8-20-22(26)21-18(25)9-14(24)10-19(21)28-20/h5-6,8-12,24-25H,3-4,7H2,1-2H3/b20-8-
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n/an/a 1.39E+4n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202449
PNG
(CHEMBL3263910)
Show SMILES Oc1cc2O\C(=C/c3cn(Cc4cccc(Br)c4)c4ccccc34)C(=O)c2c(O)c1
Show InChI InChI=1S/C24H16BrNO4/c25-16-5-3-4-14(8-16)12-26-13-15(18-6-1-2-7-19(18)26)9-22-24(29)23-20(28)10-17(27)11-21(23)30-22/h1-11,13,27-28H,12H2/b22-9-
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n/an/a 1.44E+4n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50011032
PNG
(5-(4-Fluoro-phenyl)-1-[2-(4-hydroxy-6-oxo-tetrahyd...)
Show SMILES CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1
Show InChI InChI=1S/C33H33FN2O4/c1-21(2)31-30(33(39)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-27-19-26(37)20-28(38)40-27/h3-16,21,26-27,37H,17-20H2,1-2H3,(H,35,39)/t26-,27-/m1/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of calcein-AM efflux in MRP2-expressing MDCK cells


Drug Metab Dispos 33: 537-46 (2005)


Article DOI: 10.1124/dmd.104.002477
BindingDB Entry DOI: 10.7270/Q2SB4712
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202444
PNG
(CHEMBL3948408)
Show SMILES CCCCn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2cc(Br)ccc12
Show InChI InChI=1S/C21H18BrNO4/c1-2-3-6-23-11-12(15-8-13(22)4-5-16(15)23)7-19-21(26)20-17(25)9-14(24)10-18(20)27-19/h4-5,7-11,24-25H,2-3,6H2,1H3/b19-7-
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n/an/a 1.54E+4n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202443
PNG
(CHEMBL3928271)
Show SMILES Oc1cc2O\C(=C/c3cn(CC4CCCCC4)c4ccc(Br)cc34)C(=O)c2c(O)c1
Show InChI InChI=1S/C24H22BrNO4/c25-16-6-7-19-18(9-16)15(13-26(19)12-14-4-2-1-3-5-14)8-22-24(29)23-20(28)10-17(27)11-21(23)30-22/h6-11,13-14,27-28H,1-5,12H2/b22-8-
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n/an/a 1.58E+4n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM172715
PNG
(US9090657, DEBIO-025, 2)
Show SMILES CCC1NC(=O)C(C(O)C(C)C\C=C\C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(C(C)C)N(CC)C(=O)C(C)N(C)C1=O)C(C)C
Show InChI InChI=1S/C63H113N11O12/c1-26-29-30-40(16)52(75)51-56(79)66-44(27-2)59(82)68(20)43(19)58(81)74(28-3)49(38(12)13)55(78)67-48(37(10)11)62(85)69(21)45(31-34(4)5)54(77)64-41(17)53(76)65-42(18)57(80)70(22)46(32-35(6)7)60(83)71(23)47(33-36(8)9)61(84)72(24)50(39(14)15)63(86)73(51)25/h26,29,34-52,75H,27-28,30-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b29-26+
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n/an/a 1.60E+4n/an/an/an/an/an/a



NEUROVIVE PHARMACEUTICAL AB

US Patent


Assay Description
To assess the inhibition of the MRP2, MRP3 and BSEP efflux transporters, an in vitro vesicular transporter assay from Solvo Biotechnology Inc. was us...


US Patent US9090657 (2015)


BindingDB Entry DOI: 10.7270/Q22Z148H
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202457
PNG
(CHEMBL3263909)
Show SMILES COc1cccc(Cn2cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c3ccccc23)c1
Show InChI InChI=1S/C25H19NO5/c1-30-18-6-4-5-15(9-18)13-26-14-16(19-7-2-3-8-20(19)26)10-23-25(29)24-21(28)11-17(27)12-22(24)31-23/h2-12,14,27-28H,13H2,1H3/b23-10-
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n/an/a 1.75E+4n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50202455
PNG
(CHEMBL3914655)
Show SMILES CCn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2cc(Br)ccc12
Show InChI InChI=1S/C19H14BrNO4/c1-2-21-9-10(13-6-11(20)3-4-14(13)21)5-17-19(24)18-15(23)7-12(22)8-16(18)25-17/h3-9,22-23H,2H2,1H3/b17-5-
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n/an/a 1.78E+4n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(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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n/an/a 1.80E+4n/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)


Article DOI: 10.1016/j.cbi.2005.11.002
BindingDB Entry DOI: 10.7270/Q26H4JN9
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50339127
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-25,30-d...)
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](C(C)C)N(CC)C(=O)[C@@H](C)N(C)C1=O)C(C)C
Show InChI InChI=1S/C63H113N11O12/c1-26-29-30-40(16)52(75)51-56(79)66-44(27-2)59(82)68(20)43(19)58(81)74(28-3)49(38(12)13)55(78)67-48(37(10)11)62(85)69(21)45(31-34(4)5)54(77)64-41(17)53(76)65-42(18)57(80)70(22)46(32-35(6)7)60(83)71(23)47(33-36(8)9)61(84)72(24)50(39(14)15)63(86)73(51)25/h26,29,34-52,75H,27-28,30-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b29-26+/t40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MRP2 expressed in Sf9 cells inside out vesicles using CDCF substrate


J Med Chem 57: 8503-16 (2014)


Article DOI: 10.1021/jm500862r
BindingDB Entry DOI: 10.7270/Q2HM5B1Z
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50293019
PNG
(CHEMBL456361 | Methyl 4-((4-(2-(6,7-dimethoxy-1,2,...)
Show SMILES COC(=O)c1ccc(cc1NC(=O)c1cccnc1)C(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1
Show InChI InChI=1S/C34H34N4O6/c1-42-30-18-23-13-16-38(21-26(23)19-31(30)43-2)15-12-22-6-9-27(10-7-22)36-32(39)24-8-11-28(34(41)44-3)29(17-24)37-33(40)25-5-4-14-35-20-25/h4-11,14,17-20H,12-13,15-16,21H2,1-3H3,(H,36,39)(H,37,40)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 overexpressed in MDCK cells at 100 uM by flow cytometric-based chloromethylfluorescein-diacetate accumulation assay


J Med Chem 52: 1190-7 (2009)


Article DOI: 10.1021/jm8013822
BindingDB Entry DOI: 10.7270/Q2VH5PQ4
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50293012
PNG
(CHEMBL457439 | Methyl 4-((4-(2-(6,7-dimethoxy-1,2,...)
Show SMILES COC(=O)c1ccc(cc1NC(=O)c1cnc(C)cn1)C(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1
Show InChI InChI=1S/C34H35N5O6/c1-21-18-36-29(19-35-21)33(41)38-28-15-24(7-10-27(28)34(42)45-4)32(40)37-26-8-5-22(6-9-26)11-13-39-14-12-23-16-30(43-2)31(44-3)17-25(23)20-39/h5-10,15-19H,11-14,20H2,1-4H3,(H,37,40)(H,38,41)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 overexpressed in MDCK cells at 100 uM by flow cytometric-based chloromethylfluorescein-diacetate accumulation assay


J Med Chem 52: 1190-7 (2009)


Article DOI: 10.1021/jm8013822
BindingDB Entry DOI: 10.7270/Q2VH5PQ4
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50293015
PNG
(CHEMBL502503 | Methyl 4-((4-(2-(6,7-Dimethoxy-1,2,...)
Show SMILES COC(=O)c1ccc(cc1NC(=O)c1ccc2ccccc2n1)C(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1
Show InChI InChI=1S/C38H36N4O6/c1-46-34-21-26-17-19-42(23-28(26)22-35(34)47-2)18-16-24-8-12-29(13-9-24)39-36(43)27-10-14-30(38(45)48-3)33(20-27)41-37(44)32-15-11-25-6-4-5-7-31(25)40-32/h4-15,20-22H,16-19,23H2,1-3H3,(H,39,43)(H,41,44)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 overexpressed in MDCK cells at 100 uM by flow cytometric-based chloromethylfluorescein-diacetate accumulation assay


J Med Chem 52: 1190-7 (2009)


Article DOI: 10.1021/jm8013822
BindingDB Entry DOI: 10.7270/Q2VH5PQ4
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 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
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 2.00E+4n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCC2 (unknown origin)


Eur J Med Chem 122: 408-418 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.039
BindingDB Entry DOI: 10.7270/Q2RN39TM
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2)


(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
Multidrug resistance-associated protein 2 (MRP2)


(Homo sapiens (Human))
BDBM50012278
PNG
((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)
Show SMILES CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC
Show InChI InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of calcein-AM efflux in MRP2-expressing MDCK cells


Drug Metab Dispos 33: 537-46 (2005)


Article DOI: 10.1124/dmd.104.002477
BindingDB Entry DOI: 10.7270/Q2SB4712
More data for this
Ligand-Target Pair
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