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Compile Data Set for Download or QSAR

Found 196 hits with Last Name = 'sugiyama' and Initial = 'y'   
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
Solute carrier organic anion transporter family member 1A4


(Rattus norvegicus)
BDBM46355
PNG
(DIGOXIN | MLS000069819 | SMR000059217 | cid_272438...)
Show SMILES C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C |t:46|
Show InChI InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1
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37n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp2-expressing LLC-PK1 cells


J Pharmacol Exp Ther 298: 316-22 (2001)


BindingDB Entry DOI: 10.7270/Q2XW4M2T
More data for this
Ligand-Target Pair
Multidrug and toxin extrusion protein 1


(Mus musculus)
BDBM18512
PNG
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
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145n/an/an/an/an/an/an/an/a



RIKEN Center for Life Science Technologies

Curated by ChEMBL


Assay Description
Inhibition of mouse Mate1 transfected in HEK293 cells assessed as uptake of [14C]-TEA preincubated for 15 mins by liquid scintillation counting analy...


Bioorg Med Chem 21: 7584-90 (2013)


Article DOI: 10.1016/j.bmc.2013.10.041
BindingDB Entry DOI: 10.7270/Q2CN75C7
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1 (OATP1B1)


(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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238n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Cerivastatin uptake in OATP2-expressing MDCKII cells


J Pharmacol Exp Ther 304: 610-6 (2003)


Article DOI: 10.1124/jpet.102.041921
BindingDB Entry DOI: 10.7270/Q2SF2XF0
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1A4


(Rattus norvegicus)
BDBM46355
PNG
(DIGOXIN | MLS000069819 | SMR000059217 | cid_272438...)
Show SMILES C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C |t:46|
Show InChI InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1
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580n/an/an/an/an/an/an/an/a



the University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Taurocholate uptake in Oatp2-expressing LLC-PK1 cells


Drug Metab Dispos 30: 220-3 (2002)


BindingDB Entry DOI: 10.7270/Q22N53J3
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 1


(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
Solute carrier organic anion transporter family member 1A4


(Rattus norvegicus)
BDBM50370232
PNG
(BA-41166E | L-5103 | RIFAMPIN | Rifadin | Rifampic...)
Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N4CCN(C)CC4)c(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:33,t:3,35|
Show InChI InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
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1.46E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Digoxin uptake in Oatp2-expressing LLC-PK1 cells


Pharm Res 19: 147-53 (2002)


BindingDB Entry DOI: 10.7270/Q2NS0W5F
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 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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2.60E+3n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicle from MRP3-expressing Sf9 cells


Pharm Res 19: 34-41 (2002)


BindingDB Entry DOI: 10.7270/Q2G44RCW
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM50420231
PNG
(CHEMBL2074600)
Show SMILES OS(=O)(=O)Oc1ccc(cc1)C1(OC(=O)c2c1c(Br)ccc2Br)c1ccc(OS(O)(=O)=O)cc1
Show InChI InChI=1S/C20H12Br2O10S2/c21-15-9-10-16(22)18-17(15)19(23)30-20(18,11-1-5-13(6-2-11)31-33(24,25)26)12-3-7-14(8-4-12)32-34(27,28)29/h1-10H,(H,24,25,26)(H,27,28,29)
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2.74E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of PAH uptake in Oat1-expressing LLC-PK1 cells


J Pharmacol Exp Ther 300: 746-53 (2002)


BindingDB Entry DOI: 10.7270/Q2FQ9XW4
More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Rattus norvegicus)
BDBM50420231
PNG
(CHEMBL2074600)
Show SMILES OS(=O)(=O)Oc1ccc(cc1)C1(OC(=O)c2c1c(Br)ccc2Br)c1ccc(OS(O)(=O)=O)cc1
Show InChI InChI=1S/C20H12Br2O10S2/c21-15-9-10-16(22)18-17(15)19(23)30-20(18,11-1-5-13(6-2-11)31-33(24,25)26)12-3-7-14(8-4-12)32-34(27,28)29/h1-10H,(H,24,25,26)(H,27,28,29)
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3.09E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Pravastatin uptake in Oat3-expressing LLC-PK1 cells


J Pharmacol Exp Ther 300: 746-53 (2002)


BindingDB Entry DOI: 10.7270/Q2FQ9XW4
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Mus musculus)
BDBM18512
PNG
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
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3.60E+3n/an/an/an/an/an/an/an/a



RIKEN Center for Life Science Technologies

Curated by ChEMBL


Assay Description
Inhibition of mouse Oct1 transfected in HEK293 cells assessed as uptake of [14C]-TEA preincubated for 15 mins by liquid scintillation counting analys...


Bioorg Med Chem 21: 7584-90 (2013)


Article DOI: 10.1016/j.bmc.2013.10.041
BindingDB Entry DOI: 10.7270/Q2CN75C7
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1A4


(Rattus norvegicus)
BDBM50367247
PNG
(QUININE | Quinamm | Quinsan | cid_3034034)
Show SMILES COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |THB:20:19:12.13:16.15,10:12:19.18:16.15|
Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1
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3.81E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Digoxin uptake in Oatp2-expressing LLC-PK1 cells


Pharm Res 19: 147-53 (2002)


BindingDB Entry DOI: 10.7270/Q2NS0W5F
More data for this
Ligand-Target Pair
Multidrug resistance associated protein


(Homo sapiens (Human))
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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5.60E+3n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicle from MRP3-expressing Sf9 cells


Pharm Res 19: 34-41 (2002)


BindingDB Entry DOI: 10.7270/Q2G44RCW
More data for this
Ligand-Target Pair
Bile Salt Export Pump, BSEP


(Rattus norvegicus)
BDBM22164
PNG
((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylca...)
Show SMILES CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccccc1 |r|
Show InChI InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)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)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1
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7.57E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 1


(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
Canalicular multispecific organic anion transporter 1


(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
Solute carrier organic anion transporter family member 1A1


(Rattus norvegicus)
BDBM50410855
PNG
(CIN-QUIN | QUINIDEX | QUINIDINE SULFATE)
Show SMILES COc1ccc2nccc([C@H](O)[C@H]3CC4CCN3C[C@@H]4C=C)c2c1 |r,TLB:20:19:12.13:16.15|
Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14?,19+,20-/m0/s1
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9.27E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing LLC-PK1 cells


Pharm Res 19: 147-53 (2002)


BindingDB Entry DOI: 10.7270/Q2NS0W5F
More data for this
Ligand-Target Pair
Bile Salt Export Pump, BSEP


(Rattus norvegicus)
BDBM18375
PNG
((3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-[(2,2-dimethylbutan...)
Show SMILES [H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)C(C)(C)CC |r,c:6,9|
Show InChI InChI=1S/C25H40O6/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29)/t15-,16-,18+,19+,20-,21-,23-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile salt export pump (BSEP)


(Homo sapiens (Human))
BDBM50139181
PNG
((1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotet...)
Show SMILES CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |r,c:14,t:12|
Show InChI InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile Salt Export Pump, BSEP


(Rattus norvegicus)
BDBM50139181
PNG
((1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotet...)
Show SMILES CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |r,c:14,t:12|
Show InChI InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile salt export pump (BSEP)


(Homo sapiens (Human))
BDBM18375
PNG
((3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-[(2,2-dimethylbutan...)
Show SMILES [H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)C(C)(C)CC |r,c:6,9|
Show InChI InChI=1S/C25H40O6/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29)/t15-,16-,18+,19+,20-,21-,23-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile Salt Export Pump, BSEP


(Rattus norvegicus)
BDBM18372
PNG
((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethan...)
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)S(C)(=O)=O |r|
Show InChI InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile salt export pump (BSEP)


(Homo sapiens (Human))
BDBM18372
PNG
((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethan...)
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)S(C)(=O)=O |r|
Show InChI InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile Salt Export Pump, BSEP


(Rattus norvegicus)
BDBM86706
PNG
(Pravastatin lactone)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:13,t:11|
Show InChI InChI=1S/C23H34O6/c1-4-13(2)23(27)29-20-11-16(24)9-15-6-5-14(3)19(22(15)20)8-7-18-10-17(25)12-21(26)28-18/h5-6,9,13-14,16-20,22,24-25H,4,7-8,10-12H2,1-3H3/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile salt export pump (BSEP)


(Homo sapiens (Human))
BDBM86706
PNG
(Pravastatin lactone)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:13,t:11|
Show InChI InChI=1S/C23H34O6/c1-4-13(2)23(27)29-20-11-16(24)9-15-6-5-14(3)19(22(15)20)8-7-18-10-17(25)12-21(26)28-18/h5-6,9,13-14,16-20,22,24-25H,4,7-8,10-12H2,1-3H3/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile Salt Export Pump, BSEP


(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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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile salt export pump (BSEP)


(Homo sapiens (Human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile Salt Export Pump, BSEP


(Rattus norvegicus)
BDBM86705
PNG
(CAS_141750-63-2 | Pitavastatin lactone)
Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(nc2ccccc2c1-c1ccc(F)cc1)C1CC1 |r|
Show InChI InChI=1S/C25H22FNO3/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-19-13-18(28)14-23(29)30-19/h1-4,7-12,16,18-19,28H,5-6,13-14H2/b12-11+/t18-,19-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile salt export pump (BSEP)


(Homo sapiens (Human))
BDBM86705
PNG
(CAS_141750-63-2 | Pitavastatin lactone)
Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(nc2ccccc2c1-c1ccc(F)cc1)C1CC1 |r|
Show InChI InChI=1S/C25H22FNO3/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-19-13-18(28)14-23(29)30-19/h1-4,7-12,16,18-19,28H,5-6,13-14H2/b12-11+/t18-,19-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile Salt Export Pump, BSEP


(Rattus norvegicus)
BDBM86707
PNG
(CAS_147511-69-1 | Pitavastatin)
Show SMILES O[C@H](C[C@H](O)\C=C\c1c(nc2ccccc2c1-c1ccc(F)cc1)C1CC1)CC(O)=O |r|
Show InChI InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/b12-11+/t18-,19-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile salt export pump (BSEP)


(Homo sapiens (Human))
BDBM86707
PNG
(CAS_147511-69-1 | Pitavastatin)
Show SMILES O[C@H](C[C@H](O)\C=C\c1c(nc2ccccc2c1-c1ccc(F)cc1)C1CC1)CC(O)=O |r|
Show InChI InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/b12-11+/t18-,19-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile Salt Export Pump, BSEP


(Rattus norvegicus)
BDBM86704
PNG
(CAS_93957-54-1 | Fluvastatin | cid_446155)
Show SMILES CC(C)n1c(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)c(-c2ccc(F)cc2)c2ccccc12 |r|
Show InChI InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile salt export pump (BSEP)


(Homo sapiens (Human))
BDBM86704
PNG
(CAS_93957-54-1 | Fluvastatin | cid_446155)
Show SMILES CC(C)n1c(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)c(-c2ccc(F)cc2)c2ccccc12 |r|
Show InChI InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile Salt Export Pump, BSEP


(Rattus norvegicus)
BDBM18376
PNG
((3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)...)
Show SMILES COCc1c(nc(C(C)C)c(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)c1-c1ccc(F)cc1)C(C)C |r|
Show InChI InChI=1S/C26H34FNO5/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32)/b11-10+/t19-,20-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile salt export pump (BSEP)


(Homo sapiens (Human))
BDBM18376
PNG
((3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)...)
Show SMILES COCc1c(nc(C(C)C)c(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)c1-c1ccc(F)cc1)C(C)C |r|
Show InChI InChI=1S/C26H34FNO5/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32)/b11-10+/t19-,20-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile Salt Export Pump, BSEP


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



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile salt export pump (BSEP)


(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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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1A1


(Rattus norvegicus)
BDBM50375594
PNG
(TAUROCHOLATE)
Show SMILES C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |r|
Show InChI InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1
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1.08E+4n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing LLC-PK1 cells


J Pharmacol Exp Ther 298: 316-22 (2001)


BindingDB Entry DOI: 10.7270/Q2XW4M2T
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1A1


(Rattus norvegicus)
BDBM50370232
PNG
(BA-41166E | L-5103 | RIFAMPIN | Rifadin | Rifampic...)
Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N4CCN(C)CC4)c(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:33,t:3,35|
Show InChI InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
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1.82E+4n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing LLC-PK1 cells


Pharm Res 19: 147-53 (2002)


BindingDB Entry DOI: 10.7270/Q2NS0W5F
More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(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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2.00E+4n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in Oat3-expressing LLC-PK1 cells


J Pharmacol Exp Ther 298: 316-22 (2001)


BindingDB Entry DOI: 10.7270/Q2XW4M2T
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 1


(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
Solute carrier family 22 member 6


(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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3.10E+4n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of PAH uptake in Oat1-expressing LLC-PK1 cells


J Pharmacol Exp Ther 298: 316-22 (2001)


BindingDB Entry DOI: 10.7270/Q2XW4M2T
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 1


(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
Solute carrier organic anion transporter family member 1A4


(Rattus norvegicus)
BDBM50375594
PNG
(TAUROCHOLATE)
Show SMILES C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |r|
Show InChI InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1
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3.94E+4n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp2-expressing LLC-PK1 cells


J Pharmacol Exp Ther 298: 316-22 (2001)


BindingDB Entry DOI: 10.7270/Q2XW4M2T
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 1


(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
Solute carrier family 22 member 8


(Rattus norvegicus)
BDBM50022787
PNG
((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1
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5.28E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Pravastatin uptake in Oat3-expressing LLC-PK1 cells


J Pharmacol Exp Ther 300: 746-53 (2002)


BindingDB Entry DOI: 10.7270/Q2FQ9XW4
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 1


(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
Canalicular multispecific organic anion transporter 1


(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
Solute carrier organic anion transporter family member 1A4


(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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7.29E+4n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp2-expressing LLC-PK1 cells


J Pharmacol Exp Ther 298: 316-22 (2001)


BindingDB Entry DOI: 10.7270/Q2XW4M2T
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1A1


(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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7.44E+4n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing LLC-PK1 cells


J Pharmacol Exp Ther 298: 316-22 (2001)


BindingDB Entry DOI: 10.7270/Q2XW4M2T
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1A1


(Rattus norvegicus)
BDBM50367247
PNG
(QUININE | Quinamm | Quinsan | cid_3034034)
Show SMILES COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |THB:20:19:12.13:16.15,10:12:19.18:16.15|
Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1
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7.67E+4n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing LLC-PK1 cells


Pharm Res 19: 147-53 (2002)


BindingDB Entry DOI: 10.7270/Q2NS0W5F
More data for this
Ligand-Target Pair
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