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Compile Data Set for Download or QSAR

Found 24 hits of ki for UniProtKB: P46720   
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
Solute carrier organic anion transporter family member 1A1


(Rattus norvegicus)
BDBM50420244
PNG
(CHEMBL1628111)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(O)(=O)=O)ccc34)[C@@H]1CC[C@@H]2O |r|
Show InChI InChI=1S/C18H24O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,17+,18+/m1/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by ChEMBL


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


Am J Physiol 270: 326-31 (1996)


Article DOI: 10.1152/ajprenal.1996.270.2.F326
BindingDB Entry DOI: 10.7270/Q20K29V5
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1A1


(Rattus norvegicus)
BDBM50366524
PNG
(ESTRONE | ESTROPIPATE | Estrone 3-sulfate | Estron...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(O)(=O)=O)ccc34)[C@@H]1CCC2=O
Show InChI InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by ChEMBL


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


Am J Physiol 270: 326-31 (1996)


Article DOI: 10.1152/ajprenal.1996.270.2.F326
BindingDB Entry DOI: 10.7270/Q20K29V5
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1A1


(Rattus norvegicus)
BDBM50420245
PNG
(CHEMBL1614647)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(OS(O)(=O)=O)C#C |r|
Show InChI InChI=1S/C20H24O5S/c1-3-20(25-26(22,23)24)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21H,4,6,8-11H2,2H3,(H,22,23,24)/t16-,17-,18+,19+,20+/m1/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by ChEMBL


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


Am J Physiol 270: 326-31 (1996)


Article DOI: 10.1152/ajprenal.1996.270.2.F326
BindingDB Entry DOI: 10.7270/Q20K29V5
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1A1


(Rattus norvegicus)
BDBM50420242
PNG
(CHEMBL2075012)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)COS(O)(=O)=O |r,t:9|
Show InChI InChI=1S/C21H30O7S/c1-20-8-7-13(22)9-12(20)3-4-14-15-5-6-16(18(24)11-28-29(25,26)27)21(15,2)10-17(23)19(14)20/h9,14-17,19,23H,3-8,10-11H2,1-2H3,(H,25,26,27)/t14-,15-,16+,17-,19+,20-,21-/m0/s1
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1.60E+3n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by ChEMBL


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


Am J Physiol 270: 326-31 (1996)


Article DOI: 10.1152/ajprenal.1996.270.2.F326
BindingDB Entry DOI: 10.7270/Q20K29V5
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1A1


(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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1.98E+3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Enalapril uptake in Oatp1-expressing HeLa cells


Hepatology 28: 1341-6 (1998)


Article DOI: 10.1002/hep.510280524
BindingDB Entry DOI: 10.7270/Q2K64MZG
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1A1


(Rattus norvegicus)
BDBM50420249
PNG
(CHEMBL2074598)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](CC[C@]34C)OS(O)(=O)=O)[C@@H]1CCC2=O |r|
Show InChI InChI=1S/C19H30O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h12-16H,3-11H2,1-2H3,(H,21,22,23)/t12-,13+,14-,15-,16-,18-,19-/m0/s1
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2.40E+3n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by ChEMBL


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


Am J Physiol 270: 326-31 (1996)


Article DOI: 10.1152/ajprenal.1996.270.2.F326
BindingDB Entry DOI: 10.7270/Q20K29V5
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1A1


(Rattus norvegicus)
BDBM50420248
PNG
(CHEMBL2074651)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O |r,t:8|
Show InChI InChI=1S/C25H36O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h11,14-21,23,27-29H,3-10H2,1-2H3,(H,30,31)/t14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1
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3.80E+3n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by ChEMBL


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


Am J Physiol 270: 326-31 (1996)


Article DOI: 10.1152/ajprenal.1996.270.2.F326
BindingDB Entry DOI: 10.7270/Q20K29V5
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1A1


(Rattus norvegicus)
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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4.70E+3n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by ChEMBL


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


Am J Physiol 270: 326-31 (1996)


Article DOI: 10.1152/ajprenal.1996.270.2.F326
BindingDB Entry DOI: 10.7270/Q20K29V5
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1A1


(Rattus norvegicus)
BDBM50170653
PNG
((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO |r,t:9|
Show InChI InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1
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5.30E+3n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by ChEMBL


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


Am J Physiol 270: 326-31 (1996)


Article DOI: 10.1152/ajprenal.1996.270.2.F326
BindingDB Entry DOI: 10.7270/Q20K29V5
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1A1


(Rattus norvegicus)
BDBM8885
PNG
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18|
Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
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5.40E+3n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by ChEMBL


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


Am J Physiol 270: 326-31 (1996)


Article DOI: 10.1152/ajprenal.1996.270.2.F326
BindingDB Entry DOI: 10.7270/Q20K29V5
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1A1


(Rattus norvegicus)
BDBM50391000
PNG
(CB-01-11 | RIFAMYCIN)
Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)cc(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:23,t:3,25|
Show InChI InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1
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6.60E+3n/an/an/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in Xenopus laevis oocytes


Hepatology 32: 82-6 (2000)


Article DOI: 10.1053/jhep.2000.8539
BindingDB Entry DOI: 10.7270/Q2M32ZN3
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
Solute carrier organic anion transporter family member 1A1


(Rattus norvegicus)
BDBM50420246
PNG
(CHEMBL2074591)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)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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9.70E+3n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by ChEMBL


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


Am J Physiol 270: 326-31 (1996)


Article DOI: 10.1152/ajprenal.1996.270.2.F326
BindingDB Entry DOI: 10.7270/Q20K29V5
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1A1


(Rattus norvegicus)
BDBM50410506
PNG
(ESTRIOL)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O
Show InChI InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1
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9.80E+3n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by ChEMBL


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


Am J Physiol 270: 326-31 (1996)


Article DOI: 10.1152/ajprenal.1996.270.2.F326
BindingDB Entry DOI: 10.7270/Q20K29V5
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1A1


(Rattus norvegicus)
BDBM17639
PNG
((1S,2S,5R,7S,10R,11S,15S)-5-hydroxy-2,15-dimethylt...)
Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1
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1.06E+4n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by ChEMBL


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


Am J Physiol 270: 326-31 (1996)


Article DOI: 10.1152/ajprenal.1996.270.2.F326
BindingDB Entry DOI: 10.7270/Q20K29V5
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)
BDBM17289
PNG
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)
Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
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1.57E+4n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by ChEMBL


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


Am J Physiol 270: 326-31 (1996)


Article DOI: 10.1152/ajprenal.1996.270.2.F326
BindingDB Entry DOI: 10.7270/Q20K29V5
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 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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3.20E+4n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Enalapril uptake in Oatp1-expressing HeLa cells


Hepatology 28: 1341-6 (1998)


Article DOI: 10.1002/hep.510280524
BindingDB Entry DOI: 10.7270/Q2K64MZG
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)
BDBM50420243
PNG
(CHEMBL2074705)
Show SMILES CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1 |r|
Show InChI InChI=1S/C21H32O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h14-18H,4-12H2,1-3H3/t14-,15+,16-,17-,18-,20-,21-/m0/s1
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7.62E+4n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by ChEMBL


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


Am J Physiol 270: 326-31 (1996)


Article DOI: 10.1152/ajprenal.1996.270.2.F326
BindingDB Entry DOI: 10.7270/Q20K29V5
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
Solute carrier organic anion transporter family member 1A1


(Rattus norvegicus)
BDBM50009859
PNG
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
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1.26E+5n/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 organic anion transporter family member 1A1


(Rattus norvegicus)
BDBM50420247
PNG
(CHEMBL2074716)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)CC([O-])=O
Show InChI InChI=1S/C20H26O4/c1-19-8-6-15-14-5-3-13(21)10-12(14)2-4-16(15)17(19)7-9-20(19,24)11-18(22)23/h3,5,10,15-17,21,24H,2,4,6-9,11H2,1H3,(H,22,23)/p-1/t15-,16-,17+,19+,20-/m1/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by ChEMBL


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


Am J Physiol 270: 326-31 (1996)


Article DOI: 10.1152/ajprenal.1996.270.2.F326
BindingDB Entry DOI: 10.7270/Q20K29V5
More data for this
Ligand-Target Pair