Found 116 hits with Last Name = 'nagle' and Initial = 'm' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Solute carrier family 22 member 6
(Mus musculus) | BDBM50206441
(2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxo-6H-xanthen-9...)Show SMILES OC(=O)c1ccccc1-c1c2cc(Br)c(O)c(Br)c2oc2c(Br)c(=O)c(Br)cc12 |(32.53,-16.69,;33.02,-15.23,;32,-14.07,;34.53,-14.92,;34.52,-13.38,;35.85,-12.6,;37.19,-13.36,;37.2,-14.9,;35.87,-15.67,;35.87,-17.21,;37.21,-17.96,;38.54,-17.19,;39.88,-17.94,;41.21,-17.16,;39.89,-19.5,;41.23,-20.26,;38.56,-20.28,;38.57,-21.82,;37.22,-19.51,;35.88,-20.29,;34.55,-19.52,;33.22,-20.3,;33.22,-21.84,;31.88,-19.53,;30.55,-20.3,;31.88,-17.98,;30.56,-17.2,;33.22,-17.24,;34.55,-17.98,)| Show InChI InChI=1S/C20H8Br4O5/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25/h1-6,25H,(H,27,28) | PDB
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| 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Mus musculus) | BDBM50270022
(O2C(CH2)4CO2 dianion | adipate | adipate dianion |...)Show InChI InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)/p-2 | PDB
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| 410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 20
(Mus musculus) | BDBM50009859
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)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) | KEGG
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| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Mus musculus) | BDBM50143424
(2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid | ...)Show SMILES OC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12 |(-6.39,-28.75,;-5.64,-30.09,;-6.42,-31.42,;-4.1,-30.1,;-4.09,-28.56,;-2.74,-27.79,;-1.41,-28.57,;-1.42,-30.11,;-2.76,-30.87,;-2.77,-32.41,;-1.43,-33.19,;-.1,-32.42,;1.23,-33.2,;1.22,-34.74,;2.54,-35.52,;-.12,-35.5,;-1.44,-34.73,;-2.78,-35.49,;-4.11,-34.72,;-5.43,-35.48,;-6.76,-34.72,;-8.09,-35.49,;-6.76,-33.18,;-5.43,-32.4,;-4.1,-33.18,)| Show InChI InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h1-10,21H,(H,23,24) | PDB
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| 2.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Mus musculus) | BDBM35847
((15S)-prostaglandin E2 | (5Z,11alpha,13E,15S)-11,1...)Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1 | PDB
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| 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 20
(Mus musculus) | BDBM50206441
(2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxo-6H-xanthen-9...)Show SMILES OC(=O)c1ccccc1-c1c2cc(Br)c(O)c(Br)c2oc2c(Br)c(=O)c(Br)cc12 |(32.53,-16.69,;33.02,-15.23,;32,-14.07,;34.53,-14.92,;34.52,-13.38,;35.85,-12.6,;37.19,-13.36,;37.2,-14.9,;35.87,-15.67,;35.87,-17.21,;37.21,-17.96,;38.54,-17.19,;39.88,-17.94,;41.21,-17.16,;39.89,-19.5,;41.23,-20.26,;38.56,-20.28,;38.57,-21.82,;37.22,-19.51,;35.88,-20.29,;34.55,-19.52,;33.22,-20.3,;33.22,-21.84,;31.88,-19.53,;30.55,-20.3,;31.88,-17.98,;30.56,-17.2,;33.22,-17.24,;34.55,-17.98,)| Show InChI InChI=1S/C20H8Br4O5/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25/h1-6,25H,(H,27,28) | KEGG
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| 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Mus musculus) | BDBM50009859
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)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) | PDB
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| 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Homo sapiens (Human)) | BDBM50270006
(2-(4-aminobenzamido)acetate | AMINOHIPPURATE)Show InChI InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)/p-1 | PDB
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| 6.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of human Oat1 expressed in Drosophila S2 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
(Mus musculus) | BDBM50206509
(4-Dipropylsulfamoyl-benzoic acid | 4-Dipropylsulfa...)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) | PDB
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Article
PubMed
| 6.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Solute carrier family 22 member 6
(Mus musculus) | BDBM50269998
((S)-2-((R)-5-chloro-8-hydroxy-3-methyl-1-oxoisochr...)Show SMILES C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C([O-])=O)c(O)c2C(=O)O1 |r| Show InChI InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/p-1/t10-,15+/m1/s1 | PDB
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| 6.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 20
(Mus musculus) | BDBM50269966
(2-ethylhexanoate | CHEMBL1762647)Show InChI InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1 | KEGG
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| 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 20
(Mus musculus) | BDBM50412192
(CHEMBL1162486)Show InChI InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/t7-/m0/s1 | KEGG
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| 6.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 20
(Mus musculus) | BDBM50412193
(CHEMBL1162487)Show InChI InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/t7-/m1/s1 | KEGG
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| 6.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Mus musculus) | BDBM50270021
(glutarate | glutarate(2-) | pentanedioate)Show InChI InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)/p-2 | PDB
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| 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 20
(Mus musculus) | BDBM50240408
(1-hexanecarboxylate | CH3-[CH2]5-COO(-) | enanthat...)Show InChI InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)/p-1 | KEGG
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| 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 20
(Mus musculus) | BDBM50206509
(4-Dipropylsulfamoyl-benzoic acid | 4-Dipropylsulfa...)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) | KEGG
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| 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 20
(Mus musculus) | BDBM16433
(CHEMBL14184 | Caproic acid | Hexanoic acid | n-Cap...)Show InChI InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8) | KEGG
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| 9.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Rattus norvegicus) | BDBM50344967
(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 | PDB
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| 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Mus musculus) | BDBM50270006
(2-(4-aminobenzamido)acetate | AMINOHIPPURATE)Show InChI InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)/p-1 | PDB
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| 9.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Rattus norvegicus) | BDBM50328021
((2-Hydroxy-benzoylamino)-acetic acid | 2-(2-hydrox...)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) | PDB
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| 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 20
(Mus musculus) | BDBM36181
(SODIUM BENZOATE | benzoate | benzoic acid | benzoi...)Show InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1 | KEGG
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| 1.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Homo sapiens (Human)) | BDBM50344963
(1-Methylpyrenyl mercapturic acid | CHEMBL1778337)Show SMILES CC(=O)NC(CSCC1=CC=C2C=Cc3cccc4CC=C1C2c34)C(O)=O |c:12,t:8,10,20| Show InChI InChI=1S/C22H21NO3S/c1-13(24)23-19(22(25)26)12-27-11-17-8-7-16-6-5-14-3-2-4-15-9-10-18(17)21(16)20(14)15/h2-8,10,19,21H,9,11-12H2,1H3,(H,23,24)(H,25,26) | PDB
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| 1.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of human Oat1 expressed in HEK293 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
(Mus musculus) | BDBM50240408
(1-hexanecarboxylate | CH3-[CH2]5-COO(-) | enanthat...)Show InChI InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)/p-1 | PDB
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| 1.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 20
(Mus musculus) | BDBM35847
((15S)-prostaglandin E2 | (5Z,11alpha,13E,15S)-11,1...)Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1 | KEGG
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| 1.82E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Homo sapiens (Human)) | BDBM50344964
(Betamipron | CHEMBL1231530 | N-(phenylcarbonyl)-be...)Show InChI InChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13) | PDB
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| 2.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of human Oat1 expressed in Drosophila S2 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) | BDBM50009999
(CHEMBL461 | N-benzoylglycine)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) | PDB
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| 2.75E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 20
(Mus musculus) | BDBM50269985
(2-oxo-3-phenylpropanoate | 3-(4-hydroxyphenyl)pyru...)Show InChI InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)/p-1 | KEGG
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| 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 20
(Mus musculus) | BDBM50269962
(3-methyl-n-butyrate | 3-methylbutanoate | 3-methyl...)Show InChI InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)/p-1 | KEGG
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| 3.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Mus musculus) | BDBM50270010
(octanedioate)Show InChI InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)/p-2 | PDB
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| 3.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Mus musculus) | BDBM16433
(CHEMBL14184 | Caproic acid | Hexanoic acid | n-Cap...)Show InChI InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8) | PDB
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| 3.72E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Rattus norvegicus) | BDBM50344965
(1-(4-chlorophenylsulfonyl)-3-propylurea | 4-chloro...)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) | PDB
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| 3.95E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 20
(Mus musculus) | BDBM50240453
((+/-)-2-methylbutanoate | 2-methylbutanoate | 2-me...)Show InChI InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/p-1 | KEGG
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| 4.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 20
(Mus musculus) | BDBM50412189
(CHEMBL1162482)Show InChI InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/t4-/m0/s1 | KEGG
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| 4.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 20
(Mus musculus) | BDBM50412188
(CHEMBL1162483)Show InChI InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/t4-/m1/s1 | KEGG
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PubMed
| 4.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 20
(Mus musculus) | BDBM26193
(2-Hydroxybenzoate, I | 2-hydroxybenzoic acid | CHE...)Show InChI InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) | KEGG
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| 4.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 20
(Mus musculus) | BDBM50269998
((S)-2-((R)-5-chloro-8-hydroxy-3-methyl-1-oxoisochr...)Show SMILES C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C([O-])=O)c(O)c2C(=O)O1 |r| Show InChI InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/p-1/t10-,15+/m1/s1 | KEGG
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| 4.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Rattus norvegicus) | BDBM20688
((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 | PDB
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PubMed
| 5.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50027886
(1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...)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) | PDB
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| 5.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Mus musculus) | BDBM50009999
(CHEMBL461 | N-benzoylglycine)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) | PDB
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| 5.56E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse 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
(Mus musculus) | BDBM50269966
(2-ethylhexanoate | CHEMBL1762647)Show InChI InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1 | PDB
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| 5.62E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Mus musculus) | BDBM50009999
(CHEMBL461 | N-benzoylglycine)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) | PDB
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| 5.62E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Mus musculus) | BDBM50412193
(CHEMBL1162487)Show InChI InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/t7-/m1/s1 | PDB
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UniChem
Similars
| Article
PubMed
| 5.62E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Mus musculus) | BDBM50412192
(CHEMBL1162486)Show InChI InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/t7-/m0/s1 | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.62E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 20
(Mus musculus) | BDBM50366524
(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 | KEGG
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Homo sapiens (Human)) | BDBM50009999
(CHEMBL461 | N-benzoylglycine)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) | PDB
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| Article
PubMed
| 6.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of human Oat1 expressed in HEK293 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 20
(Mus musculus) | BDBM50269993
((4-hydroxyphenyl)pyruvate | 3-(4-Hydroxyphenyl)pyr...)Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)/p-1 | KEGG
UniProtKB/SwissProt
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UniChem
Similars
| Article
PubMed
| 6.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Mus musculus) | BDBM50269993
((4-hydroxyphenyl)pyruvate | 3-(4-Hydroxyphenyl)pyr...)Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)/p-1 | PDB
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UniChem
Similars
| Article
PubMed
| 7.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat1 expressed in Xenopus oocytes assessed as inhibition 6-carboxyfluorescein uptake after 1 hr by fluorometric analysis |
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
(Mus musculus) | BDBM50269993
((4-hydroxyphenyl)pyruvate | 3-(4-Hydroxyphenyl)pyr...)Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)/p-1 | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr |
J Biol Chem 282: 23841-53 (2007)
Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Mus musculus) | BDBM50269993
((4-hydroxyphenyl)pyruvate | 3-(4-Hydroxyphenyl)pyr...)Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)/p-1 | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse 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
(Mus musculus) | BDBM50269985
(2-oxo-3-phenylpropanoate | 3-(4-hydroxyphenyl)pyru...)Show InChI InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)/p-1 | PDB
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PC cid
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PDB
UniChem
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| Article
PubMed
| 7.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of mouse 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 | |
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