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Compile Data Set for Download or QSAR

Found 91 hits of affinity data for UniProtKB/TrEMBL: Q63120   
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
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50485593
PNG
(CHEMBL2074809)
Show SMILES N[C@@H](CCC(=O)N[C@@H](CSc1c(Br)c2C(=O)OC(c2c(Br)c1Br)(c1ccc(O)c(c1)S(O)(=O)=O)c1ccc(O)c(c1)S(O)(=O)=O)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C30H26Br3N3O16S3/c31-23-21-22(24(32)25(33)26(23)53-10-14(27(42)35-9-20(40)41)36-19(39)6-3-13(34)28(43)44)30(52-29(21)45,11-1-4-15(37)17(7-11)54(46,47)48)12-2-5-16(38)18(8-12)55(49,50)51/h1-2,4-5,7-8,13-14,37-38H,3,6,9-10,34H2,(H,35,42)(H,36,39)(H,40,41)(H,43,44)(H,46,47,48)(H,49,50,51)/t13-,14-/m0/s1
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46n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat


Drug Metab Pharmacokinet 17: 23-33 (2002)


Article DOI: 10.2133/dmpk.17.23
BindingDB Entry DOI: 10.7270/Q22B91VQ
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50185127
PNG
((3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en...)
Show SMILES CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(O)=O |r,t:18|
Show InChI InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1
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840n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat


Drug Metab Pharmacokinet 17: 23-33 (2002)


Article DOI: 10.2133/dmpk.17.23
BindingDB Entry DOI: 10.7270/Q22B91VQ
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50420250
PNG
(INDOCYANINE GREEN)
Show SMILES CC1(C)\C(=C\C=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccc4ccccc4c3C2(C)C)N(CCCCS(O)(=O)=O)c2ccc3ccccc3c12 |c:11|
Show InChI InChI=1S/C43H48N2O6S2/c1-42(2)38(44(28-14-16-30-52(46,47)48)36-26-24-32-18-10-12-20-34(32)40(36)42)22-8-6-5-7-9-23-39-43(3,4)41-35-21-13-11-19-33(35)25-27-37(41)45(39)29-15-17-31-53(49,50)51/h5-13,18-27H,14-17,28-31H2,1-4H3,(H-,46,47,48,49,50,51)
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1.00E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat


Drug Metab Pharmacokinet 17: 23-33 (2002)


Article DOI: 10.2133/dmpk.17.23
BindingDB Entry DOI: 10.7270/Q22B91VQ
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50390982
PNG
(CHEMBL2075008)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)OC(=O)C(N)CCCN=C(N)N)C(C)C |r,wU:4.3,19.20,12.16,14.44,wD:8.56,27.28,(9.19,-39.83,;10.55,-39.1,;10.59,-37.55,;11.86,-39.89,;13.22,-39.16,;14.7,-39.59,;14.82,-41.13,;13.63,-42.13,;16.32,-41.51,;17.17,-40.22,;18.68,-40.53,;19.24,-41.97,;19.39,-39.44,;20.86,-39.32,;21.19,-37.88,;19.94,-37.09,;18.81,-38.08,;19.47,-36.23,;20.74,-35.73,;18.31,-35.5,;18.35,-33.96,;19.71,-33.24,;21.07,-34.17,;19.77,-31.69,;16.89,-36.09,;15.86,-34.94,;16.19,-33.44,;14.45,-35.54,;13.15,-34.72,;13.09,-33.18,;14.51,-32.59,;14.38,-31.06,;12.88,-30.69,;12.15,-29.34,;10.61,-29.3,;9.8,-30.62,;10.54,-31.97,;12.08,-32.01,;14.58,-37.08,;13.15,-37.64,;11.84,-36.81,;22.61,-37.29,;23.95,-38.06,;23.95,-39.6,;25.28,-37.29,;26.61,-38.06,;25.28,-35.75,;26.61,-34.98,;26.61,-33.44,;27.95,-32.67,;27.95,-31.13,;29.28,-30.36,;26.61,-30.36,;17.07,-42.86,;16.29,-44.18,;18.62,-42.87,)|
Show InChI InChI=1S/C37H54N10O9/c1-18(2)12-25-31(50)43-26(13-20-16-42-24-10-6-5-8-22(20)24)32(51)45-27(15-29(48)49)35(54)47-17-21(56-36(55)23(38)9-7-11-41-37(39)40)14-28(47)33(52)46-30(19(3)4)34(53)44-25/h5-6,8,10,16,18-19,21,23,25-28,30,42H,7,9,11-15,17,38H2,1-4H3,(H,43,50)(H,44,53)(H,45,51)(H,46,52)(H,48,49)(H4,39,40,41)/t21-,23?,25-,26+,27-,28-,30+/m0/s1
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1.01E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of BQ-123 uptake in bile canalicular membrane vesicles from SD rat


J Pharmacol Exp Ther 288: 575-81 (1999)


BindingDB Entry DOI: 10.7270/Q24T6KF8
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50485567
PNG
(CHEMBL2075009)
Show SMILES CCc1c2Cn3c(cc(c(CO)c3=O)[C@@](O)(CC)C(O)=O)-c2nc2ccc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)cc12 |r|
Show InChI InChI=1S/C28H30N2O12/c1-3-12-13-7-11(41-26-22(34)20(32)21(33)23(42-26)25(36)37)5-6-17(13)29-19-14(12)9-30-18(19)8-16(15(10-31)24(30)35)28(40,4-2)27(38)39/h5-8,20-23,26,31-34,40H,3-4,9-10H2,1-2H3,(H,36,37)(H,38,39)/t20-,21-,22+,23-,26+,28-/m0/s1
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1.03E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat


J Pharmacol Exp Ther 281: 304-14 (1997)


BindingDB Entry DOI: 10.7270/Q2TT4TTJ
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50485569
PNG
(CHEMBL1743143 | Glucuronidated Sn-38)
Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)cc12 |r|
Show InChI InChI=1S/C29H30N2O11/c1-3-13-14-7-12(40-11-20-22(32)23(33)24(34)25(42-20)27(36)37)5-6-18(14)30-21-15(13)9-31-19(21)8-17-16(26(31)35)10-41-28(38)29(17,39)4-2/h5-8,20,22-25,32-34,39H,3-4,9-11H2,1-2H3,(H,36,37)/t20-,22-,23+,24-,25-,29-/m0/s1
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1.62E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat


J Pharmacol Exp Ther 281: 304-14 (1997)


BindingDB Entry DOI: 10.7270/Q2TT4TTJ
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50185127
PNG
((3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en...)
Show SMILES CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(O)=O |r,t:18|
Show InChI InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1
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1.91E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of SN-38 uptake in bile canalicular membrane vesicles from SD rat


Drug Metab Pharmacokinet 17: 23-33 (2002)


Article DOI: 10.2133/dmpk.17.23
BindingDB Entry DOI: 10.7270/Q22B91VQ
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
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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1.96E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat


Drug Metab Pharmacokinet 17: 23-33 (2002)


Article DOI: 10.2133/dmpk.17.23
BindingDB Entry DOI: 10.7270/Q22B91VQ
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50390979
PNG
(BROMOSULFOPHTHALEIN)
Show SMILES Oc1ccc(cc1S([O-])(=O)=O)C1(OC(=O)c2c1c(Br)c(Br)c(Br)c2Br)c1ccc(O)c(c1)S([O-])(=O)=O
Show InChI InChI=1S/C20H10Br4O10S2/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33/h1-6,25-26H,(H,28,29,30)(H,31,32,33)/p-2
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2.18E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat


Drug Metab Pharmacokinet 17: 23-33 (2002)


Article DOI: 10.2133/dmpk.17.23
BindingDB Entry DOI: 10.7270/Q22B91VQ
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50390979
PNG
(BROMOSULFOPHTHALEIN)
Show SMILES Oc1ccc(cc1S([O-])(=O)=O)C1(OC(=O)c2c1c(Br)c(Br)c(Br)c2Br)c1ccc(O)c(c1)S([O-])(=O)=O
Show InChI InChI=1S/C20H10Br4O10S2/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33/h1-6,25-26H,(H,28,29,30)(H,31,32,33)/p-2
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2.87E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of SN-38 uptake in bile canalicular membrane vesicles from SD rat


Drug Metab Pharmacokinet 17: 23-33 (2002)


Article DOI: 10.2133/dmpk.17.23
BindingDB Entry DOI: 10.7270/Q22B91VQ
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50391002
PNG
(CHEMBL2074599)
Show SMILES CNc1nc2c(Cc3cccnc3)c(C)c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)c(C)c2s1
Show InChI InChI=1S/C22H25N3O7S/c1-9-12(7-11-5-4-6-24-8-11)13-19(33-22(23-3)25-13)10(2)17(9)31-21-16(28)14(26)15(27)18(32-21)20(29)30/h4-6,8,14-16,18,21,26-28H,7H2,1-3H3,(H,23,25)(H,29,30)/t14-,15-,16+,18-,21+/m0/s1
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3.84E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat


J Pharmacol Exp Ther 282: 866-72 (1997)


BindingDB Entry DOI: 10.7270/Q2PV6P74
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM58924
PNG
((2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-ac...)
Show SMILES [#6]-[#6@@H]-1-[#6@H](-[#8])-[#6]-[#6][C@@]2([#6])[#6@H]-1-[#6]-[#6][C@@]1([#6])[#6@H]2-[#6@H](-[#8])-[#6]-[#6@H]2\[#6](-[#6@H](-[#6][C@]12[#6])-[#8]-[#6](-[#6])=O)=[#6](/[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O
Show InChI InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1
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5.50E+3n/an/an/an/an/an/an/an/a



Deutsches Krebsforschungszentrum

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of LTC4 uptake in canalicular membrane vesicles of rat liver


Biochem Pharmacol 64: 151-8 (2002)


Article DOI: 10.1016/s0006-2952(02)01015-8
BindingDB Entry DOI: 10.7270/Q2VM4G4P
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM58924
PNG
((2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-ac...)
Show SMILES [#6]-[#6@@H]-1-[#6@H](-[#8])-[#6]-[#6][C@@]2([#6])[#6@H]-1-[#6]-[#6][C@@]1([#6])[#6@H]2-[#6@H](-[#8])-[#6]-[#6@H]2\[#6](-[#6@H](-[#6][C@]12[#6])-[#8]-[#6](-[#6])=O)=[#6](/[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O
Show InChI InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1
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7.60E+3n/an/an/an/an/an/an/an/a



Deutsches Krebsforschungszentrum

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in canalicular membrane vesicles of rat liver


Biochem Pharmacol 64: 151-8 (2002)


Article DOI: 10.1016/s0006-2952(02)01015-8
BindingDB Entry DOI: 10.7270/Q2VM4G4P
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50242173
PNG
((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Show SMILES O[C@H]1[C@H](Oc2cc3oc(cc(=O)c3c(O)c2O)-c2ccccc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |r|
Show InChI InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
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7.95E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat


Drug Metab Pharmacokinet 17: 23-33 (2002)


Article DOI: 10.2133/dmpk.17.23
BindingDB Entry DOI: 10.7270/Q22B91VQ
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50390985
PNG
(CHEMBL2074707)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C35H44N6O5/c1-22(2)17-29(40-35(46)41-15-9-3-4-10-16-41)32(42)38-30(18-23-20-36-27-13-7-5-11-25(23)27)33(43)39-31(34(44)45)19-24-21-37-28-14-8-6-12-26(24)28/h5-8,11-14,20-22,29-31,36-37H,3-4,9-10,15-19H2,1-2H3,(H,38,42)(H,39,43)(H,40,46)(H,44,45)/t29-,30?,31+/m0/s1
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8.32E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of BQ-123 uptake in bile canalicular membrane vesicles from SD rat


J Pharmacol Exp Ther 288: 575-81 (1999)


BindingDB Entry DOI: 10.7270/Q24T6KF8
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50391008
PNG
(CHEMBL2074711)
Show SMILES CC1CN(CCN1)c1cc2n(cc(C(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)c(=O)c2c(C)c1F)C1CC1 |r|
Show InChI InChI=1S/C25H30FN3O9/c1-10-8-28(6-5-27-10)15-7-14-16(11(2)17(15)26)18(30)13(9-29(14)12-3-4-12)24(36)38-25-21(33)19(31)20(32)22(37-25)23(34)35/h7,9-10,12,19-22,25,27,31-33H,3-6,8H2,1-2H3,(H,34,35)/t10?,19-,20-,21+,22-,25-/m0/s1
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9.20E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat


J Pharmacol Exp Ther 284: 1033-9 (1998)


BindingDB Entry DOI: 10.7270/Q2PN96QP
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50422690
PNG
(CEFODIZIME | Cefodizime Sodium | HR-221 [As Sodium...)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CSc3nc(C)c(CC(O)=O)s3)=C(N2C1=O)C(O)=O)c1csc(N)n1 |r,c:24|
Show InChI InChI=1S/C20H20N6O7S4/c1-7-10(3-11(27)28)37-20(22-7)36-5-8-4-34-17-13(16(30)26(17)14(8)18(31)32)24-15(29)12(25-33-2)9-6-35-19(21)23-9/h6,13,17H,3-5H2,1-2H3,(H2,21,23)(H,24,29)(H,27,28)(H,31,32)/b25-12-/t13-,17-/m1/s1
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1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat


Drug Metab Pharmacokinet 17: 23-33 (2002)


Article DOI: 10.2133/dmpk.17.23
BindingDB Entry DOI: 10.7270/Q22B91VQ
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
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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1.00E+4n/an/an/an/an/an/an/an/a



Deutsches Krebsforschungszentrum

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of BMG uptake in membrane vesicles from Mrp2-expressing HEK cells


Hepatology 30: 485-90 (1999)


Article DOI: 10.1002/hep.510300220
BindingDB Entry DOI: 10.7270/Q21G0Q3S
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50485591
PNG
(CHEMBL2075019)
Show SMILES CCCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCNC(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C29H33N9O4/c1-2-15-38(17-20-16-33-25-23(34-20)24(30)36-29(31)37-25)21-12-10-19(11-13-21)27(40)35-22(28(41)42)9-6-14-32-26(39)18-7-4-3-5-8-18/h3-5,7-8,10-13,16,22H,2,6,9,14-15,17H2,1H3,(H,32,39)(H,35,40)(H,41,42)(H4,30,31,33,36,37)
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1.14E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat


Pharm Res 18: 579-86 (2001)


Article DOI: 10.1023/a:1011064806507
BindingDB Entry DOI: 10.7270/Q2K93BC6
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM58924
PNG
((2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-ac...)
Show SMILES [#6]-[#6@@H]-1-[#6@H](-[#8])-[#6]-[#6][C@@]2([#6])[#6@H]-1-[#6]-[#6][C@@]1([#6])[#6@H]2-[#6@H](-[#8])-[#6]-[#6@H]2\[#6](-[#6@H](-[#6][C@]12[#6])-[#8]-[#6](-[#6])=O)=[#6](/[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O
Show InChI InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1
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1.30E+4n/an/an/an/an/an/an/an/a



Deutsches Krebsforschungszentrum

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of LTC4 uptake in Mrp2-expressing HEK cells


Biochem Pharmacol 64: 151-8 (2002)


Article DOI: 10.1016/s0006-2952(02)01015-8
BindingDB Entry DOI: 10.7270/Q2VM4G4P
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50485588
PNG
(CHEMBL2075023)
Show SMILES CC(C)N(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCNC(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C29H33N9O4/c1-17(2)38(16-20-15-33-25-23(34-20)24(30)36-29(31)37-25)21-12-10-19(11-13-21)27(40)35-22(28(41)42)9-6-14-32-26(39)18-7-4-3-5-8-18/h3-5,7-8,10-13,15,17,22H,6,9,14,16H2,1-2H3,(H,32,39)(H,35,40)(H,41,42)(H4,30,31,33,36,37)
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1.48E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat


Pharm Res 18: 579-86 (2001)


Article DOI: 10.1023/a:1011064806507
BindingDB Entry DOI: 10.7270/Q2K93BC6
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50485568
PNG
(CHEMBL2074578)
Show SMILES CCc1c2Cn3c(cc(c(CO)c3=O)[C@@](O)(CC)C(O)=O)-c2nc2ccc(O)cc12 |r|
Show InChI InChI=1S/C22H22N2O6/c1-3-12-13-7-11(26)5-6-17(13)23-19-14(12)9-24-18(19)8-16(15(10-25)20(24)27)22(30,4-2)21(28)29/h5-8,25-26,30H,3-4,9-10H2,1-2H3,(H,28,29)/t22-/m0/s1
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1.83E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat


J Pharmacol Exp Ther 281: 304-14 (1997)


BindingDB Entry DOI: 10.7270/Q2TT4TTJ
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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2.58E+4n/an/an/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Temocaprilat uptake in bile canalicular membrane vesicles from SD rat


J Pharmacol Exp Ther 280: 1304-11 (1997)


BindingDB Entry DOI: 10.7270/Q26M37WC
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50485587
PNG
(CHEMBL2074653)
Show SMILES CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCNC(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C28H31N9O4/c1-2-37(16-19-15-32-24-22(33-19)23(29)35-28(30)36-24)20-12-10-18(11-13-20)26(39)34-21(27(40)41)9-6-14-31-25(38)17-7-4-3-5-8-17/h3-5,7-8,10-13,15,21H,2,6,9,14,16H2,1H3,(H,31,38)(H,34,39)(H,40,41)(H4,29,30,32,35,36)
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3.25E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat


Pharm Res 18: 579-86 (2001)


Article DOI: 10.1023/a:1011064806507
BindingDB Entry DOI: 10.7270/Q2K93BC6
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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3.45E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of 5-methyltetrahydrofolate uptake in bile canalicular membrane vesicles from SD rat


Am J Physiol 275: 789-96 (1998)


Article DOI: 10.1152/ajpgi.1998.275.4.G789
BindingDB Entry DOI: 10.7270/Q2Z320RZ
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50485585
PNG
(CHEMBL2074658)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1c(C)cc(cc1C)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H26N8O5/c1-10-6-12(20(33)27-14(21(34)35)4-5-15(31)32)7-11(2)17(10)30(3)9-13-8-25-19-16(26-13)18(23)28-22(24)29-19/h6-8,14H,4-5,9H2,1-3H3,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29)
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3.92E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat


Pharm Res 18: 579-86 (2001)


Article DOI: 10.1023/a:1011064806507
BindingDB Entry DOI: 10.7270/Q2K93BC6
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50390987
PNG
(CHEMBL2074660)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC(C)CC(O)=O |r|
Show InChI InChI=1S/C28H41N5O5/c1-18(2)14-23(32-28(38)33-12-8-4-5-9-13-33)27(37)31-24(26(36)30-19(3)15-25(34)35)16-20-17-29-22-11-7-6-10-21(20)22/h6-7,10-11,17-19,23-24,29H,4-5,8-9,12-16H2,1-3H3,(H,30,36)(H,31,37)(H,32,38)(H,34,35)/t19?,23-,24+/m0/s1
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4.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of BQ-123 uptake in bile canalicular membrane vesicles from SD rat


J Pharmacol Exp Ther 288: 575-81 (1999)


BindingDB Entry DOI: 10.7270/Q24T6KF8
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50023198
PNG
(8-[4-(4-phenylbutyloxy)benzoyl]amino-2-(tetrazol-5...)
Show SMILES O=C(Nc1cccc2c1oc(cc2=O)-c1nnn[nH]1)c1ccc(OCCCCc2ccccc2)cc1
Show InChI InChI=1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)
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4.11E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat


Drug Metab Pharmacokinet 17: 23-33 (2002)


Article DOI: 10.2133/dmpk.17.23
BindingDB Entry DOI: 10.7270/Q22B91VQ
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50206509
PNG
(4-Dipropylsulfamoyl-benzoic acid | 4-Dipropylsulfa...)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)
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4.46E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in blie canalicular membrane vesicle from SD rat


Drug Metab Pharmacokinet 17: 23-33 (2002)


Article DOI: 10.2133/dmpk.17.23
BindingDB Entry DOI: 10.7270/Q22B91VQ
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50485575
PNG
(CHEMBL2074661)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCNC(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C27H29N9O4/c1-36(15-18-14-31-23-21(32-18)22(28)34-27(29)35-23)19-11-9-17(10-12-19)25(38)33-20(26(39)40)8-5-13-30-24(37)16-6-3-2-4-7-16/h2-4,6-7,9-12,14,20H,5,8,13,15H2,1H3,(H,30,37)(H,33,38)(H,39,40)(H4,28,29,31,34,35)
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4.87E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat


Pharm Res 18: 579-86 (2001)


Article DOI: 10.1023/a:1011064806507
BindingDB Entry DOI: 10.7270/Q2K93BC6
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50390983
PNG
(CHEMBL2074699)
Show SMILES COC(=O)n1cc(C[C@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(O)=O)NC2=O)C(C)C)c2ccccc12 |r|
Show InChI InChI=1S/C33H44N6O9/c1-17(2)13-21-28(42)34-22(14-19-16-39(33(47)48-5)24-10-7-6-9-20(19)24)29(43)36-23(15-26(40)41)32(46)38-12-8-11-25(38)30(44)37-27(18(3)4)31(45)35-21/h6-7,9-10,16-18,21-23,25,27H,8,11-15H2,1-5H3,(H,34,42)(H,35,45)(H,36,43)(H,37,44)(H,40,41)/t21-,22+,23-,25-,27+/m0/s1
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5.41E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of BQ-123 uptake in bile canalicular membrane vesicles from SD rat


J Pharmacol Exp Ther 288: 575-81 (1999)


BindingDB Entry DOI: 10.7270/Q24T6KF8
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50485573
PNG
(CHEMBL2074700)
Show SMILES CCC(C)C(NC(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1)C(O)=O
Show InChI InChI=1S/C21H26N8O3/c1-4-11(2)15(20(31)32)26-19(30)12-5-7-14(8-6-12)29(3)10-13-9-24-18-16(25-13)17(22)27-21(23)28-18/h5-9,11,15H,4,10H2,1-3H3,(H,26,30)(H,31,32)(H4,22,23,24,27,28)
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5.69E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat


Pharm Res 18: 579-86 (2001)


Article DOI: 10.1023/a:1011064806507
BindingDB Entry DOI: 10.7270/Q2K93BC6
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50390984
PNG
(CHEMBL2074702)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)c1cccs1 |r|
Show InChI InChI=1S/C32H38N6O7S/c1-17(2)13-21-28(41)34-22(14-18-16-33-20-8-4-3-7-19(18)20)29(42)36-23(15-26(39)40)32(45)38-11-5-9-24(38)30(43)37-27(31(44)35-21)25-10-6-12-46-25/h3-4,6-8,10,12,16-17,21-24,27,33H,5,9,11,13-15H2,1-2H3,(H,34,41)(H,35,44)(H,36,42)(H,37,43)(H,39,40)/t21-,22+,23+,24-,27+/m0/s1
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6.55E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of BQ-123 uptake in bile canalicular membrane vesicles from SD rat


J Pharmacol Exp Ther 288: 575-81 (1999)


BindingDB Entry DOI: 10.7270/Q24T6KF8
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50329850
PNG
((R)-3-Amino-4-[(S)-2-((R)-1-{(S)-1-[(R)-1-(1H-indo...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C |r|
Show InChI InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23-,24-,26+/m0/s1
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8.41E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of BQ-485 uptake in bile canalicular membrane vesicles from SD rat


J Pharmacol Exp Ther 288: 575-81 (1999)


BindingDB Entry DOI: 10.7270/Q24T6KF8
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50390986
PNG
(CHEMBL2074710)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2CCC(OC(=O)[C@H](CCCCN)N(C)C)N2C(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C
Show InChI InChI=1S/C39H58N8O9/c1-21(2)17-26-34(50)42-27(18-23-20-41-25-12-8-7-11-24(23)25)35(51)44-28(19-32(48)49)38(54)47-29(36(52)45-33(22(3)4)37(53)43-26)14-15-31(47)56-39(55)30(46(5)6)13-9-10-16-40/h7-8,11-12,20-22,26-31,33,41H,9-10,13-19,40H2,1-6H3,(H,42,50)(H,43,53)(H,44,51)(H,45,52)(H,48,49)/t26-,27+,28+,29-,30-,31?,33+/m0/s1
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8.54E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of BQ-123 uptake in bile canalicular membrane vesicles from SD rat


J Pharmacol Exp Ther 288: 575-81 (1999)


BindingDB Entry DOI: 10.7270/Q24T6KF8
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50420238
PNG
(CHEMBL156)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m1/s1
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9.28E+4n/an/an/an/an/an/an/an/a



Toho University School of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of L-MTX uptake in bile canalicular membrane vesicles from SD rat


Cancer Res 57: 3506-10 (1997)


BindingDB Entry DOI: 10.7270/Q2571D9Z
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50485566
PNG
(CHEMBL2074712)
Show SMILES CCc1c2Cn3c(cc(c(CO)c3=O)[C@@](O)(CC)C(O)=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12
Show InChI InChI=1S/C33H40N4O7/c1-3-22-23-16-21(44-32(42)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26(25(19-38)30(37)39)33(43,4-2)31(40)41/h8-9,16-17,20,38,43H,3-7,10-15,18-19H2,1-2H3,(H,40,41)/t33-/m0/s1
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9.66E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat


J Pharmacol Exp Ther 281: 304-14 (1997)


BindingDB Entry DOI: 10.7270/Q2TT4TTJ
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50485590
PNG
(CHEMBL2074713)
Show SMILES CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1C)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H26N8O5/c1-3-30(10-13-9-25-19-17(26-13)18(23)28-22(24)29-19)15-6-4-12(8-11(15)2)20(33)27-14(21(34)35)5-7-16(31)32/h4,6,8-9,14H,3,5,7,10H2,1-2H3,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29)
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9.83E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat


Pharm Res 18: 579-86 (2001)


Article DOI: 10.1023/a:1011064806507
BindingDB Entry DOI: 10.7270/Q2K93BC6
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50391007
PNG
(LEVOMEFOLIC ACID | LMSR)
Show SMILES CN1[C@@H](CNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2nc(N)[nH]c(=O)c12 |r|
Show InChI InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12-,13-/m0/s1
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1.21E+5n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat


Am J Physiol 275: 789-96 (1998)


Article DOI: 10.1152/ajpgi.1998.275.4.G789
BindingDB Entry DOI: 10.7270/Q2Z320RZ
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50239970
PNG
(CHEBI:15640 | Leucovorin)
Show SMILES Nc1nc(=O)c2N(C=O)C(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2[nH]1
Show InChI InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12?,13-/m0/s1
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1.32E+5n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat


Drug Metab Pharmacokinet 17: 23-33 (2002)


Article DOI: 10.2133/dmpk.17.23
BindingDB Entry DOI: 10.7270/Q22B91VQ
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50485576
PNG
(CHEMBL2075021)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1C)C(=O)NC(CCCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H26N8O5/c1-11-8-12(20(33)27-14(21(34)35)4-3-5-16(31)32)6-7-15(11)30(2)10-13-9-25-19-17(26-13)18(23)28-22(24)29-19/h6-9,14H,3-5,10H2,1-2H3,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29)
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1.33E+5n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat


Pharm Res 18: 579-86 (2001)


Article DOI: 10.1023/a:1011064806507
BindingDB Entry DOI: 10.7270/Q2K93BC6
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50485583
PNG
(CHEMBL2075022)
Show SMILES Nc1nc(N)c2nc(CN(CC=C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C22H24N8O5/c1-2-9-30(11-13-10-25-19-17(26-13)18(23)28-22(24)29-19)14-5-3-12(4-6-14)20(33)27-15(21(34)35)7-8-16(31)32/h2-6,10,15H,1,7-9,11H2,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29)
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1.36E+5n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat


Pharm Res 18: 579-86 (2001)


Article DOI: 10.1023/a:1011064806507
BindingDB Entry DOI: 10.7270/Q2K93BC6
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50485577
PNG
(CHEMBL13170)
Show SMILES Nc1nc(N)c2nc(CN3CCSc4cc(ccc34)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C21H22N8O5S/c22-17-16-18(28-21(23)27-17)24-8-11(25-16)9-29-5-6-35-14-7-10(1-3-13(14)29)19(32)26-12(20(33)34)2-4-15(30)31/h1,3,7-8,12H,2,4-6,9H2,(H,26,32)(H,30,31)(H,33,34)(H4,22,23,24,27,28)
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1.37E+5n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat


Pharm Res 18: 579-86 (2001)


Article DOI: 10.1023/a:1011064806507
BindingDB Entry DOI: 10.7270/Q2K93BC6
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50485579
PNG
(CHEMBL2074593)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1C)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C21H24N8O5/c1-10-7-11(19(32)26-13(20(33)34)4-6-15(30)31)3-5-14(10)29(2)9-12-8-24-18-16(25-12)17(22)27-21(23)28-18/h3,5,7-8,13H,4,6,9H2,1-2H3,(H,26,32)(H,30,31)(H,33,34)(H4,22,23,24,27,28)
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1.50E+5n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat


Pharm Res 18: 579-86 (2001)


Article DOI: 10.1023/a:1011064806507
BindingDB Entry DOI: 10.7270/Q2K93BC6
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50028605
PNG
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-propyl-ami...)
Show SMILES CCCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H26N8O5/c1-2-9-30(11-13-10-25-19-17(26-13)18(23)28-22(24)29-19)14-5-3-12(4-6-14)20(33)27-15(21(34)35)7-8-16(31)32/h3-6,10,15H,2,7-9,11H2,1H3,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29)
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1.54E+5n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat


Pharm Res 18: 579-86 (2001)


Article DOI: 10.1023/a:1011064806507
BindingDB Entry DOI: 10.7270/Q2K93BC6
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50485570
PNG
(CHEMBL273608)
Show SMILES Nc1nc(N)c2nc(CN3CCSc4cc(ccc34)C(=O)NC(CCCC(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C22H24N8O5S/c23-18-17-19(29-22(24)28-18)25-9-12(26-17)10-30-6-7-36-15-8-11(4-5-14(15)30)20(33)27-13(21(34)35)2-1-3-16(31)32/h4-5,8-9,13H,1-3,6-7,10H2,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29)
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1.59E+5n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat


Pharm Res 18: 579-86 (2001)


Article DOI: 10.1023/a:1011064806507
BindingDB Entry DOI: 10.7270/Q2K93BC6
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50485570
PNG
(CHEMBL273608)
Show SMILES Nc1nc(N)c2nc(CN3CCSc4cc(ccc34)C(=O)NC(CCCC(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C22H24N8O5S/c23-18-17-19(29-22(24)28-18)25-9-12(26-17)10-30-6-7-36-15-8-11(4-5-14(15)30)20(33)27-13(21(34)35)2-1-3-16(31)32/h4-5,8-9,13H,1-3,6-7,10H2,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29)
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1.62E+5n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat


Drug Metab Dispos 29: 394-400 (2001)


BindingDB Entry DOI: 10.7270/Q2Q2433X
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM20688
PNG
((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Show SMILES [H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC |r,c:6,9|
Show InChI InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
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1.72E+5n/an/an/an/an/an/an/an/a



Toho University School of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat


Drug Metab Dispos 25: 1123-9 (1997)


BindingDB Entry DOI: 10.7270/Q2CR5VMX
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50028370
PNG
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-isopropyl-...)
Show SMILES CC(C)N(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H26N8O5/c1-11(2)30(10-13-9-25-19-17(26-13)18(23)28-22(24)29-19)14-5-3-12(4-6-14)20(33)27-15(21(34)35)7-8-16(31)32/h3-6,9,11,15H,7-8,10H2,1-2H3,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29)
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1.73E+5n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat


Pharm Res 18: 579-86 (2001)


Article DOI: 10.1023/a:1011064806507
BindingDB Entry DOI: 10.7270/Q2K93BC6
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)
BDBM50485580
PNG
(CHEMBL2074594)
Show SMILES Cc1cc(cc2CCN(Cc3cnc4nc(N)nc(N)c4n3)c12)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H24N8O5/c1-10-6-12(20(33)27-14(21(34)35)2-3-15(31)32)7-11-4-5-30(17(10)11)9-13-8-25-19-16(26-13)18(23)28-22(24)29-19/h6-8,14H,2-5,9H2,1H3,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29)
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1.73E+5n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat


Pharm Res 18: 579-86 (2001)


Article DOI: 10.1023/a:1011064806507
BindingDB Entry DOI: 10.7270/Q2K93BC6
More data for this
Ligand-Target Pair
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