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Compile Data Set for Download or QSAR

Found 676 hits of ic50 data for polymerid = 7529,50006111   
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
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)		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 |r,c:1,25|
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 100n/an/an/an/an/an/a



Deutsches Krebsforschungszentrum

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of LTC4 uptake (LTC4: 0.05 uM) in bile canalicular membranes from Wistar rat

Biochem J 327: 305-10 (1997)


BindingDB Entry DOI: 10.7270/Q2ZP47D0
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)		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 |r,c:1,25|
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 120n/an/an/an/an/an/a



Deutsches Krebsforschungszentrum

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of LTC4 uptake (LTC4: 0.05 uM) in bile canalicular membranes from Wistar rat

Biochem J 327: 305-10 (1997)


BindingDB Entry DOI: 10.7270/Q2ZP47D0
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)		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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n/an/a 200n/an/an/an/an/an/a



Deutsches Krebsforschungszentrum

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Naf-GlcA uptake (Naf-GlcA: 0.1 uM) in bile canalicular membrane vesicles of Wistar rat

Biochem Pharmacol 48: 1113-20 (1994)


BindingDB Entry DOI: 10.7270/Q2V1262V
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(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 |r,c:1,25|
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)


BindingDB Entry DOI: 10.7270/Q2ZP47D0
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(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 |r,c:1,25|
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)


BindingDB Entry DOI: 10.7270/Q2ZP47D0
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)		BDBM50485596
PNG
(LEUKOTRIEN C4 | Leukotriene C4)
Show SMILES CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O |r|
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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n/an/a 650n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake (E217betaG: 0.055 uM) in membrane vesicles from Mrp2-expressing Sf9 cells

Mol Pharmacol 59: 1077-85 (2001)


Article DOI: 10.1124/mol.59.5.1077
BindingDB Entry DOI: 10.7270/Q2348P8T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(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
ATP-binding cassette sub-family C member 2


(Homo sapiens (Human))		BDBM50386790
PNG
(CHEMBL1829174 | CHEMBL2047159 | TAK-875 | US119052...)
Show SMILES Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1
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n/an/a 2.41E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human MRP2

Bioorg Med Chem 26: 5780-5791 (2018)


Article DOI: 10.1016/j.bmc.2018.10.019
BindingDB Entry DOI: 10.7270/Q2319ZKH
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)		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 2.62E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake (E217betaG: 0.055 uM) in membrane vesicles from Mrp2-expressing Sf9 cells

Mol Pharmacol 59: 1077-85 (2001)


Article DOI: 10.1124/mol.59.5.1077
BindingDB Entry DOI: 10.7270/Q2348P8T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Homo sapiens (Human))		BDBM172718
PNG
(US11802108, Compound CSA | US9090657, Cyclosporine...)
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/a37



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
ATP-binding cassette sub-family C member 2


(Homo sapiens (Human))		BDBM50485596
PNG
(LEUKOTRIEN C4 | Leukotriene C4)
Show SMILES CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O |r|
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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n/an/a 3.30E+3n/an/an/an/an/an/a



Deutsches Krebsforschungszentrum

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of PAH uptake (PAH: 0.1uM) in membrane vesicles from MRP2-expressing HEK cells

Kidney Int 57: 1636-42 (2000)


Article DOI: 10.1046/j.1523-1755.2000.00007.x
BindingDB Entry DOI: 10.7270/Q2DJ5JGN
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Homo sapiens (Human))		BDBM50186231
PNG
((2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)ac...)
Show SMILES CCC(=C)C(=O)c1ccc(OCC(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)
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n/an/a 3.85E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...

Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(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 4.00E+3n/an/an/an/an/an/a



Deutsches Krebsforschungszentrum

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of PAH uptake (PAH: 0.1uM) in membrane vesicles from MRP2-expressing HEK cells

Kidney Int 57: 1636-42 (2000)


Article DOI: 10.1046/j.1523-1755.2000.00007.x
BindingDB Entry DOI: 10.7270/Q2DJ5JGN
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Homo sapiens (Human))		BDBM172718
PNG
(US11802108, Compound CSA | US9090657, Cyclosporine...)
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/a37



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
ATP-binding cassette sub-family C member 2


(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
ATP-binding cassette sub-family C member 2


(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
ATP-binding cassette sub-family C member 2


(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
ATP-binding cassette sub-family C member 2


(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
ATP-binding cassette sub-family C member 2


(Homo sapiens (Human))		BDBM50563665
PNG
(CHEMBL4785754)
Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](OC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)C(C)(C)[C@]3([H])CC[C@@]21C)[C@]1(C)CC[C@@H](O1)C(C)(C)O |r|
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n/an/a>5.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Reversal of MRP2-mediated multidrug resistance in human KBV cells assessed as cisplatin IC50 at 5 uM after 72 hrs in presence of cisplatin by MTT ass...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113317
BindingDB Entry DOI: 10.7270/Q2DR3076
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Homo sapiens (Human))		BDBM50563666
PNG
(CHEMBL4760910)
Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](OC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)C(C)(C)[C@]3([H])CC[C@@]21C)[C@]1(C)CC[C@H](O1)C(C)(C)O |r|
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n/an/a>5.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Reversal of MRP2-mediated multidrug resistance in human KBV cells assessed as cisplatin IC50 at 5 uM after 72 hrs in presence of cisplatin by MTT ass...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113317
BindingDB Entry DOI: 10.7270/Q2DR3076
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Homo sapiens (Human))		BDBM50563666
PNG
(CHEMBL4760910)
Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](OC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)C(C)(C)[C@]3([H])CC[C@@]21C)[C@]1(C)CC[C@H](O1)C(C)(C)O |r|
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n/an/a>5.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Reversal of MRP2-mediated multidrug resistance in human KBV cells assessed as cisplatin IC50 at 10 uM after 72 hrs in presence of cisplatin by MTT as...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113317
BindingDB Entry DOI: 10.7270/Q2DR3076
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(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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n/an/a>5.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Reversal of MRP2-mediated multidrug resistance in human KBV cells assessed as cisplatin IC50 at 10 uM after 72 hrs in presence of cisplatin by MTT as...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113317
BindingDB Entry DOI: 10.7270/Q2DR3076
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Homo sapiens (Human))		BDBM50563665
PNG
(CHEMBL4785754)
Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](OC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)C(C)(C)[C@]3([H])CC[C@@]21C)[C@]1(C)CC[C@@H](O1)C(C)(C)O |r|
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TBA

Assay Description
Reversal of MRP2-mediated multidrug resistance in human KBV cells assessed as cisplatin IC50 at 10 uM after 72 hrs in presence of cisplatin by MTT as...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113317
BindingDB Entry DOI: 10.7270/Q2DR3076
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)		BDBM50292408
PNG
((R-(R*,S*-(E,E,Z,Z)))-N-(S-(1-(4-Carboxy-1-hydroxy...)
Show SMILES CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O |r|
Show InChI InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1
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n/an/a 5.48E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake (E217betaG: 0.055 uM) in membrane vesicles from Mrp2-expressing Sf9 cells

Mol Pharmacol 59: 1077-85 (2001)


Article DOI: 10.1124/mol.59.5.1077
BindingDB Entry DOI: 10.7270/Q2348P8T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(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
ATP-binding cassette sub-family C member 2


(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
ATP-binding cassette sub-family C member 2


(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 7.80E+3n/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
ATP-binding cassette sub-family C member 2


(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
ATP-binding cassette sub-family C member 2


(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
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)		BDBM50297387
PNG
((5S,6R,7E,9E,11Z,14Z)-6-(cystein-S-yl)-5-hydroxyic...)
Show SMILES CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(O)=O)[C@@H](O)CCCC(O)=O |r|
Show InChI InChI=1S/C23H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b7-6-,10-9-,12-11+,16-13+/t19-,20-,21+/m0/s1
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n/an/a 9.83E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake (E217betaG: 0.055 uM) in membrane vesicles from Mrp2-expressing Sf9 cells

Mol Pharmacol 59: 1077-85 (2001)


Article DOI: 10.1124/mol.59.5.1077
BindingDB Entry DOI: 10.7270/Q2348P8T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(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
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)		BDBM50485605
PNG
(LEUKOTRIEN F4 | Leukotriene F4)
Show SMILES CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@@H](N)C(O)=O)C(O)=O)[C@@H](O)CCCC(O)=O
Show InChI InChI=1S/C28H44N2O8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24(23(31)15-14-17-26(33)34)39-20-22(28(37)38)30-25(32)19-18-21(29)27(35)36/h6-7,9-13,16,21-24,31H,2-5,8,14-15,17-20,29H2,1H3,(H,30,32)(H,33,34)(H,35,36)(H,37,38)/b7-6-,10-9-,12-11+,16-13+/t21-,22+,23+,24-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake (E217betaG: 0.055 uM) in membrane vesicles from Mrp2-expressing Sf9 cells

Mol Pharmacol 59: 1077-85 (2001)


Article DOI: 10.1124/mol.59.5.1077
BindingDB Entry DOI: 10.7270/Q2348P8T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(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
ATP-binding cassette sub-family C member 2


(Homo sapiens (Human))		BDBM50378783
PNG
(CLOFAZIMINE)
Show SMILES CC(C)\N=c1/cc2n(-c3ccc(Cl)cc3)c3ccccc3nc2cc1Nc1ccc(Cl)cc1
Show InChI InChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3/b30-24+
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n/an/a 1.04E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...

Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(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
ATP-binding cassette sub-family C member 2


(Homo sapiens (Human))		BDBM50202459
PNG
(CHEMBL3263904)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-n1cc(\[#6]=[#6]-2/[#8]-c3cc(-[#8])cc(-[#8])c3-[#6]-2=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
ATP-binding cassette sub-family C member 2


(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
ATP-binding cassette sub-family C member 2


(Homo sapiens (Human))		BDBM50088378
PNG
(Afinitor | Afinitor Disperz | CHEBI:68478 | Everol...)
Show SMILES [H][C@@]12CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@]([H])(CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C2)OC)[C@H](C)C[C@@H]1CC[C@@H](OCCO)[C@@H](C1)OC |r,c:32,51,t:47,49|
Show InChI InChI=1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)34(3)27-37(6)48(58)49(65-10)47(57)36(5)26-32/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1
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n/an/a 1.13E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...

Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(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
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)		BDBM50391004
PNG
(CHEMBL213947)
Show SMILES N[C@@H](CCC(=O)N[C@H](CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C16H19N5O10S/c17-9(16(26)27)2-4-13(22)19-10(15(25)18-6-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,25)(H,19,22)(H,23,24)(H,26,27)/t9-,10+/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Deutsches Krebsforschungszentrum

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Naf-GlcA uptake (Naf-GlcA: 0.1 uM) in bile canalicular membrane vesicles of Wistar rat

Biochem Pharmacol 48: 1113-20 (1994)


BindingDB Entry DOI: 10.7270/Q2V1262V
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(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 |r|
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
ATP-binding cassette sub-family C member 2


(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
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)		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 |r|
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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n/an/a 1.33E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake (DNP-SG: 0.05 uM) in membrane vesicles from Mrp2-expressing Sf9 cells

Mol Pharmacol 59: 1077-85 (2001)


Article DOI: 10.1124/mol.59.5.1077
BindingDB Entry DOI: 10.7270/Q2348P8T
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
ATP-binding cassette sub-family C member 2


(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
ATP-binding cassette sub-family C member 2


(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
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 1.45E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...

Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(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
ATP-binding cassette sub-family C member 2


(Homo sapiens (Human))		BDBM50347620
PNG
(RIFAXIMIN | Rifacol | Rifaxidin)
Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c4nc5cc(C)ccn5c4c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:32,t:3,34|
Show InChI InChI=1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/b12-11+,17-15+,21-13-/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1
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n/an/a 1.54E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...

Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(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-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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
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