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Compile Data Set for Download or QSAR

Found 53 hits of ki data for polymerid = 50004761   
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 family 22 member 6


(Rattus norvegicus)
BDBM50485601
PNG
(CHEMBL2075007)
Show SMILES COC(=O)[C@@H](CSCc1ccccc1)NC(C)=O |r|
Show InChI InChI=1S/C13H17NO3S/c1-10(15)14-12(13(16)17-2)9-18-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,15)/t12-/m1/s1
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400n/an/an/an/an/an/an/an/a



University of Rochester School of Medicine and Dentistry

Curated by ChEMBL


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


Mol Pharmacol 60: 1091-9 (2001)


Article DOI: 10.1124/mol.60.5.1091
BindingDB Entry DOI: 10.7270/Q2CN76RK
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM50485602
PNG
(CHEMBL2075010)
Show SMILES CCSC[C@@H](NC(C)=O)C(O)=O |r|
Show InChI InChI=1S/C7H13NO3S/c1-3-12-4-6(7(10)11)8-5(2)9/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m1/s1
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1.10E+3n/an/an/an/an/an/an/an/a



University of Rochester School of Medicine and Dentistry

Curated by ChEMBL


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


Mol Pharmacol 60: 1091-9 (2001)


Article DOI: 10.1124/mol.60.5.1091
BindingDB Entry DOI: 10.7270/Q2CN76RK
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM50012957
PNG
(1-((p-(2-(5-chloro-o-anisamido)ethyl)phenyl)sulfon...)
Show SMILES COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1
Show InChI InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)
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1.60E+3n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


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


Eur J Pharmacol 398: 193-7 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7W83
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM50485603
PNG
(CHEBI:7426 | CHEMBL2074738)
Show SMILES CC(=O)N[C@@H](CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O |r|
Show InChI InChI=1S/C11H11N3O7S/c1-6(15)12-8(11(16)17)5-22-10-3-2-7(13(18)19)4-9(10)14(20)21/h2-4,8H,5H2,1H3,(H,12,15)(H,16,17)/t8-/m0/s1
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1.90E+3n/an/an/an/an/an/an/an/a



University of Rochester School of Medicine and Dentistry

Curated by ChEMBL


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


Mol Pharmacol 60: 1091-9 (2001)


Article DOI: 10.1124/mol.60.5.1091
BindingDB Entry DOI: 10.7270/Q2CN76RK
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM50339185
PNG
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)
Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O |r|
Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


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


Mol Pharmacol 55: 847-54 (1999)


BindingDB Entry DOI: 10.7270/Q28053WW
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 6


(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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3.50E+3n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


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


Mol Pharmacol 55: 847-54 (1999)


BindingDB Entry DOI: 10.7270/Q28053WW
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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4.20E+3n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


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


Eur J Pharmacol 409: 31-6 (2001)


BindingDB Entry DOI: 10.7270/Q20Z74JR
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM25903
PNG
(3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid |...)
Show SMILES CCCCNc1cc(cc(c1Oc1ccccc1)S(N)(=O)=O)C(O)=O
Show InChI InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)
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5.50E+3n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


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


J Pharmacol Exp Ther 295: 261-5 (2000)


BindingDB Entry DOI: 10.7270/Q2W66N2S
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM50485600
PNG
(CHEMBL2074714)
Show SMILES CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(C)=O)C(O)=O)[C@@H](O)CCCC(O)=O |r|
Show InChI InChI=1S/C25H39NO6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-23(22(28)16-15-18-24(29)30)33-19-21(25(31)32)26-20(2)27/h7-8,10-14,17,21-23,28H,3-6,9,15-16,18-19H2,1-2H3,(H,26,27)(H,29,30)(H,31,32)/b8-7-,11-10-,13-12+,17-14+/t21-,22-,23+/m0/s1
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9.00E+3n/an/an/an/an/an/an/an/a



University of Rochester School of Medicine and Dentistry

Curated by ChEMBL


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


Mol Pharmacol 60: 1091-9 (2001)


Article DOI: 10.1124/mol.60.5.1091
BindingDB Entry DOI: 10.7270/Q2CN76RK
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM50344967
PNG
(2-[(4-Isopropyl-cyclohexanecarbonyl)-amino]-3-phen...)
Show SMILES CC(C)[C@H]1CC[C@@H](CC1)C(=O)N[C@H](Cc1ccccc1)C(O)=O |r,wU:6.9,wD:12.12,3.2,(9.97,-8.16,;11.31,-7.39,;12.64,-8.16,;11.31,-5.85,;12.64,-5.08,;12.64,-3.53,;11.3,-2.78,;9.97,-3.55,;9.97,-5.08,;11.3,-1.24,;12.63,-.46,;9.96,-.47,;9.96,1.07,;8.62,1.83,;7.29,1.06,;5.95,1.82,;4.63,1.05,;4.62,-.49,;5.96,-1.27,;7.29,-.49,;11.29,1.84,;12.62,1.08,;11.28,3.38,)|
Show InChI InChI=1S/C19H27NO3/c1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,20,21)(H,22,23)/t15-,16-,17-/m1/s1
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9.20E+3n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


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


Eur J Pharmacol 398: 193-7 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7W83
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM50344967
PNG
(2-[(4-Isopropyl-cyclohexanecarbonyl)-amino]-3-phen...)
Show SMILES CC(C)[C@H]1CC[C@@H](CC1)C(=O)N[C@H](Cc1ccccc1)C(O)=O |r,wU:6.9,wD:12.12,3.2,(9.97,-8.16,;11.31,-7.39,;12.64,-8.16,;11.31,-5.85,;12.64,-5.08,;12.64,-3.53,;11.3,-2.78,;9.97,-3.55,;9.97,-5.08,;11.3,-1.24,;12.63,-.46,;9.96,-.47,;9.96,1.07,;8.62,1.83,;7.29,1.06,;5.95,1.82,;4.63,1.05,;4.62,-.49,;5.96,-1.27,;7.29,-.49,;11.29,1.84,;12.62,1.08,;11.28,3.38,)|
Show InChI InChI=1S/C19H27NO3/c1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,20,21)(H,22,23)/t15-,16-,17-/m1/s1
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9.20E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat Oat1 expressed in Xenopus oocytes


Bioorg Med Chem 19: 3320-40 (2011)


Article DOI: 10.1016/j.bmc.2011.04.045
BindingDB Entry DOI: 10.7270/Q2TB17WF
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM25902
PNG
(4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbe...)
Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccco2)cc1Cl
Show InChI InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)
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9.50E+3n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


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


J Pharmacol Exp Ther 295: 261-5 (2000)


BindingDB Entry DOI: 10.7270/Q2W66N2S
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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1.00E+4n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


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


Mol Pharmacol 55: 847-54 (1999)


BindingDB Entry DOI: 10.7270/Q28053WW
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM50328021
PNG
((2-Hydroxy-benzoylamino)-acetic acid | 2-(2-hydrox...)
Show SMILES OC(=O)CNC(=O)c1ccccc1O
Show InChI InChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)
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1.10E+4n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


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


Mol Pharmacol 55: 847-54 (1999)


BindingDB Entry DOI: 10.7270/Q28053WW
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM50328021
PNG
((2-Hydroxy-benzoylamino)-acetic acid | 2-(2-hydrox...)
Show SMILES OC(=O)CNC(=O)c1ccccc1O
Show InChI InChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)
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1.10E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat Oat1 expressed in Xenopus oocytes


Bioorg Med Chem 19: 3320-40 (2011)


Article DOI: 10.1016/j.bmc.2011.04.045
BindingDB Entry DOI: 10.7270/Q2TB17WF
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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1.58E+4n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


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


Eur J Pharmacol 409: 31-6 (2001)


BindingDB Entry DOI: 10.7270/Q20Z74JR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM50009999
PNG
(CHEMBL461 | N-benzoylglycine)
Show SMILES OC(=O)CNC(=O)c1ccccc1
Show InChI InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
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2.75E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat Oat1 expressed in pig LLC-PK11 cells


Bioorg Med Chem 19: 3320-40 (2011)


Article DOI: 10.1016/j.bmc.2011.04.045
BindingDB Entry DOI: 10.7270/Q2TB17WF
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
3D
3D Structure (crystal)
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM81194
PNG
(MLS002154125 | OXYPHENBUTAZONE | SMR001233432 | ci...)
Show SMILES CCCCc1c(O)n(-c2ccc(O)cc2)n(-c2ccccc2)c1=O
Show InChI InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,22,24H,2-3,9H2,1H3
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3.20E+4n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


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


Mol Pharmacol 55: 847-54 (1999)


BindingDB Entry DOI: 10.7270/Q28053WW
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM50344965
PNG
(1-(4-chlorophenylsulfonyl)-3-propylurea | 4-chloro...)
Show SMILES CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14)
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3.95E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat Oat1 expressed in Xenopus oocytes


Bioorg Med Chem 19: 3320-40 (2011)


Article DOI: 10.1016/j.bmc.2011.04.045
BindingDB Entry DOI: 10.7270/Q2TB17WF
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM50344965
PNG
(1-(4-chlorophenylsulfonyl)-3-propylurea | 4-chloro...)
Show SMILES CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14)
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3.95E+4n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


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


Eur J Pharmacol 398: 193-7 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7W83
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(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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5.20E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat Oat1 expressed in pig LLC-PK11 cells


Bioorg Med Chem 19: 3320-40 (2011)


Article DOI: 10.1016/j.bmc.2011.04.045
BindingDB Entry DOI: 10.7270/Q2TB17WF
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM85245
PNG
(CAS_36322-90-4 | NSC_4856 | Piroxicam)
Show SMILES CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O |t:12|
Show InChI InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)
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5.20E+4n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


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


Mol Pharmacol 55: 847-54 (1999)


BindingDB Entry DOI: 10.7270/Q28053WW
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM50027886
PNG
(1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...)
Show SMILES CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)
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5.55E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat Oat1 expressed in Xenopus oocytes


Bioorg Med Chem 19: 3320-40 (2011)


Article DOI: 10.1016/j.bmc.2011.04.045
BindingDB Entry DOI: 10.7270/Q2TB17WF
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM50027886
PNG
(1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...)
Show SMILES CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)
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5.55E+4n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


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


Eur J Pharmacol 398: 193-7 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7W83
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM50420189
PNG
(CHEMBL1624767)
Show SMILES OS(=O)(=O)CC(S)CS
Show InChI InChI=1S/C3H8O3S3/c4-9(5,6)2-3(8)1-7/h3,7-8H,1-2H2,(H,4,5,6)
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1.00E+5n/an/an/an/an/an/an/an/a



University of Rochester School of Medicine

Curated by ChEMBL


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


Mol Pharmacol 62: 921-6 (2002)


BindingDB Entry DOI: 10.7270/Q2Z320X6
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM50016799
PNG
((1,8-Diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol...)
Show SMILES CCc1cccc2c3CCOC(CC)(CC(O)=O)c3[nH]c12
Show InChI InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)
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>1.00E+5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat Oat1 expressed in pig LLC-PK11 cells


Bioorg Med Chem 19: 3320-40 (2011)


Article DOI: 10.1016/j.bmc.2011.04.045
BindingDB Entry DOI: 10.7270/Q2TB17WF
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM13076
PNG
(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl
Show InChI InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
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1.50E+5n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


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


J Pharmacol Exp Ther 295: 261-5 (2000)


BindingDB Entry DOI: 10.7270/Q2W66N2S
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM82898
PNG
((6R,7R)-3-(acetoxymethyl)-8-keto-7-[[2-(2-thienyl)...)
Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc1cccs1)C2=O)C(O)=O |t:5|
Show InChI InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1
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2.90E+5n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


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


J Pharmacol Exp Ther 290: 672-7 (1999)


BindingDB Entry DOI: 10.7270/Q2H41SJQ
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM50344959
PNG
(17beta-Estradiol-17-(beta-D-glucuronide) | CHEMBL1...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O |r|
Show InChI InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(25)10-11(13)2-4-15(14)16(24)6-7-17(24)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1
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>3.00E+5n/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


Mol Pharmacol 61: 982-8 (2002)


Article DOI: 10.1124/mol.61.5.982
BindingDB Entry DOI: 10.7270/Q2611364
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM50344959
PNG
(17beta-Estradiol-17-(beta-D-glucuronide) | CHEMBL1...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O |r|
Show InChI InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(25)10-11(13)2-4-15(14)16(24)6-7-17(24)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat Oat1 expressed in pig LLC-PK11 cells


Bioorg Med Chem 19: 3320-40 (2011)


Article DOI: 10.1016/j.bmc.2011.04.045
BindingDB Entry DOI: 10.7270/Q2TB17WF
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM26193
PNG
(2-Hydroxybenzoate, I | 2-hydroxybenzoic acid | CHE...)
Show SMILES OC(=O)c1ccccc1O
Show InChI InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
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3.41E+5n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


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


Mol Pharmacol 55: 847-54 (1999)


BindingDB Entry DOI: 10.7270/Q28053WW
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(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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4.18E+5n/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 6


(Rattus norvegicus)
BDBM50420241
PNG
(ASPIRIN | CHEMBL447221)
Show SMILES CC(=O)Oc1ccccc1C([O-])=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)/p-1
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4.28E+5n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


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


Mol Pharmacol 55: 847-54 (1999)


BindingDB Entry DOI: 10.7270/Q28053WW
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM50370587
PNG
(CEFAZOLIN)
Show SMILES Cc1nnc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cn2cnnn2)C3=O)C(O)=O)s1 |r,t:7|
Show InChI InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1
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4.50E+5n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


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


J Pharmacol Exp Ther 290: 672-7 (1999)


BindingDB Entry DOI: 10.7270/Q2H41SJQ
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM50390999
PNG
(CEFOPERAZONE)
Show SMILES CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SCC(CSc4nnnn4C)=C(N3C2=O)C(O)=O)c2ccc(O)cc2)C(=O)C1=O |c:26|
Show InChI InChI=1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16-,22-/m1/s1
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4.80E+5n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells


Life Sci 70: 1861-74 (2002)


Article DOI: 10.1016/s0024-3205(02)01500-x
BindingDB Entry DOI: 10.7270/Q2SN0CV2
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM50420191
PNG
(ACETPHENETIDIN | Acetophenetidin | PHENACETIN)
Show SMILES CCOc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)
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4.88E+5n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


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


Mol Pharmacol 55: 847-54 (1999)


BindingDB Entry DOI: 10.7270/Q28053WW
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM50270009
PNG
((2S,5R,6R)-6-{[carboxylato(phenyl)acetyl]amino}-3,...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)C(C([O-])=O)c3ccccc3)C(=O)N2[C@H]1C([O-])=O |r|
Show InChI InChI=1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/p-2/t9?,10-,11+,14-/m1/s1
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5.00E+5n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


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


J Pharmacol Exp Ther 290: 672-7 (1999)


BindingDB Entry DOI: 10.7270/Q2H41SJQ
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM82898
PNG
((6R,7R)-3-(acetoxymethyl)-8-keto-7-[[2-(2-thienyl)...)
Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc1cccs1)C2=O)C(O)=O |t:5|
Show InChI InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1
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5.30E+5n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells


Life Sci 70: 1861-74 (2002)


Article DOI: 10.1016/s0024-3205(02)01500-x
BindingDB Entry DOI: 10.7270/Q2SN0CV2
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM50370587
PNG
(CEFAZOLIN)
Show SMILES Cc1nnc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cn2cnnn2)C3=O)C(O)=O)s1 |r,t:7|
Show InChI InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1
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5.60E+5n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells


Life Sci 70: 1861-74 (2002)


Article DOI: 10.1016/s0024-3205(02)01500-x
BindingDB Entry DOI: 10.7270/Q2SN0CV2
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM26193
PNG
(2-Hydroxybenzoate, I | 2-hydroxybenzoic acid | CHE...)
Show SMILES OC(=O)c1ccccc1O
Show InChI InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
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1.00E+6n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


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


Eur J Pharmacol 409: 31-6 (2001)


BindingDB Entry DOI: 10.7270/Q20Z74JR
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM50103595
PNG
(Brumetadina | CHEBI:3699 | Cimetidine | Tagamet | ...)
Show SMILES CN\C(NC#N)=N/CCSCc1nc[nH]c1C
Show InChI InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
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>1.00E+6n/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


Mol Pharmacol 61: 982-8 (2002)


Article DOI: 10.1124/mol.61.5.982
BindingDB Entry DOI: 10.7270/Q2611364
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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1.10E+6n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


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


J Pharmacol Exp Ther 295: 261-5 (2000)


BindingDB Entry DOI: 10.7270/Q2W66N2S
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM50344966
PNG
(CHEMBL1778338 | N-Acetyl-S-ethyl-L-cystein)
Show SMILES CCSC[C@H](NC(C)=O)C(O)=O |r|
Show InChI InChI=1S/C7H13NO3S/c1-3-12-4-6(7(10)11)8-5(2)9/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1
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1.10E+6n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat Oat1 expressed in Xenopus oocytes


Bioorg Med Chem 19: 3320-40 (2011)


Article DOI: 10.1016/j.bmc.2011.04.045
BindingDB Entry DOI: 10.7270/Q2TB17WF
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(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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1.15E+6n/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 6


(Rattus norvegicus)
BDBM50103624
PNG
(40602 | CHEBI:3537 | Cefaloridine | Cephaloridine ...)
Show SMILES [H][C@]12SCC(C[n+]3ccccc3)=C(N1C(=O)[C@H]2NC(=O)Cc1cccs1)C([O-])=O |r,c:12|
Show InChI InChI=1S/C19H17N3O4S2/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21/h1-8,15,18H,9-11H2,(H-,20,23,25,26)/t15-,18-/m1/s1
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1.32E+6n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells


Life Sci 70: 1861-74 (2002)


Article DOI: 10.1016/s0024-3205(02)01500-x
BindingDB Entry DOI: 10.7270/Q2SN0CV2
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(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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1.68E+6n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


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


J Pharmacol Exp Ther 290: 672-7 (1999)


BindingDB Entry DOI: 10.7270/Q2H41SJQ
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM50420190
PNG
(5052 | ACETYLCYSTEINE)
Show SMILES CC(=O)N[C@@H](CS)C(O)=O |r|
Show InChI InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1
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2.00E+6n/an/an/an/an/an/an/an/a



University of Rochester School of Medicine

Curated by ChEMBL


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


Mol Pharmacol 62: 921-6 (2002)


BindingDB Entry DOI: 10.7270/Q2Z320X6
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM26197
PNG
(CHEMBL112 | N-(4-hydroxyphenyl)acetamide | Norco |...)
Show SMILES CC(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
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2.10E+6n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


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


Mol Pharmacol 55: 847-54 (1999)


BindingDB Entry DOI: 10.7270/Q28053WW
More data for this
Ligand-Target Pair
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