Found 46 hits with Last Name = 'cha' and Initial = 'sh' 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 8
(Homo sapiens (Human)) | BDBM50003019
(8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipro...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC1CC(C2)C3 |THB:22:21:18:24.23.25,22:23:18:21.20| Show InChI InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22) | Reactome pathway
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| 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of E1S uptake in OAT3-expressing S2 cells |
Eur J Pharmacol 419: 113-20 (2001)
BindingDB Entry DOI: 10.7270/Q2S183SP |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Homo sapiens (Human)) | 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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| DrugBank
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Article
PubMed
| 4.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT1-expressing S2 cells |
Life Sci 69: 2123-35 (2001)
Article DOI: 10.1016/s0024-3205(01)01296-6
BindingDB Entry DOI: 10.7270/Q2XD14JB |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Solute carrier family 22 member 8
(Homo sapiens (Human)) | 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) | Reactome pathway
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| 4.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT3-expressing S2 cells |
Life Sci 69: 2123-35 (2001)
Article DOI: 10.1016/s0024-3205(01)01296-6
BindingDB Entry DOI: 10.7270/Q2XD14JB |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 8
(Homo sapiens (Human)) | BDBM85245
(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) | Reactome pathway
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| DrugBank
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| 4.88E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT3-expressing S2 cells |
Life Sci 69: 2123-35 (2001)
Article DOI: 10.1016/s0024-3205(01)01296-6
BindingDB Entry DOI: 10.7270/Q2XD14JB |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Homo sapiens (Human)) | BDBM50485608
(CHEBI:28837 | Caprylic acid | EDENOR C 8-98-100 | ...)Show InChI InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10) | PDB
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| Article
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| 5.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT1-expressing S2 cells |
Life Sci 69: 2123-35 (2001)
Article DOI: 10.1016/s0024-3205(01)01296-6
BindingDB Entry DOI: 10.7270/Q2XD14JB |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 8
(Homo sapiens (Human)) | BDBM17638
(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) | Reactome pathway
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| DrugBank
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| 5.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of MTX uptake in OAT3-expressing S2 cells |
J Pharmacol Exp Ther 302: 666-71 (2002)
Article DOI: 10.1124/jpet.102.034330
BindingDB Entry DOI: 10.7270/Q2HH6MBN |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Homo sapiens (Human)) | BDBM50240008
(Aminohippuric Acid | CHEBI:104011 | PAHA | Para-Am...)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) | PDB
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| PDB
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| 6.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT1-expressing S2 cells |
Life Sci 69: 2123-35 (2001)
Article DOI: 10.1016/s0024-3205(01)01296-6
BindingDB Entry DOI: 10.7270/Q2XD14JB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Solute carrier family 22 member 6
(Homo sapiens (Human)) | BDBM50003019
(8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipro...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC1CC(C2)C3 |THB:22:21:18:24.23.25,22:23:18:21.20| Show InChI InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22) | PDB
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| 7.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells |
Eur J Pharmacol 419: 113-20 (2001)
BindingDB Entry DOI: 10.7270/Q2S183SP |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 8
(Homo sapiens (Human)) | BDBM50485608
(CHEBI:28837 | Caprylic acid | EDENOR C 8-98-100 | ...)Show InChI InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10) | Reactome pathway
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| 8.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT3-expressing S2 cells |
Life Sci 69: 2123-35 (2001)
Article DOI: 10.1016/s0024-3205(01)01296-6
BindingDB Entry DOI: 10.7270/Q2XD14JB |
More data for this
Ligand-Target Pair | |
Carbamoyl-phosphate synthase small chain
(Escherichia coli (strain K12)) | BDBM93010
(Glutamine Analogue, 2)Show InChI InChI=1S/C5H10N2O4/c6-3(5(9)10)1-2-4(8)7-11/h3,11H,1-2,6H2,(H,7,8)(H,9,10) | PDB
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| 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Texas A&M University
| Assay Description
The rate of carbamoyl phosphate synthesis was determined by use of a coupled enzyme assay with ornithine transcarbamoylase. |
Biochemistry 30: 7901-7 (1991)
Article DOI: 10.1021/bi00246a005
BindingDB Entry DOI: 10.7270/Q27D2SR2 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 8
(Homo sapiens (Human)) | 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) | Reactome pathway
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| 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of E1S uptake in OAT3-expressing S2 cells |
Eur J Pharmacol 419: 113-20 (2001)
BindingDB Entry DOI: 10.7270/Q2S183SP |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Homo sapiens (Human)) | 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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| 1.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells |
Eur J Pharmacol 419: 113-20 (2001)
BindingDB Entry DOI: 10.7270/Q2S183SP |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Solute carrier family 22 member 8
(Homo sapiens (Human)) | BDBM50344961
(CHEMBL510139 | citrinin)Show SMILES C[C@H]1OC=C2C(=O)C(C(O)=O)C(=O)C(C)=C2[C@@H]1C |r,c:14,t:3| Show InChI InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,10H,1-3H3,(H,16,17)/t5-,7-,10?/m1/s1 | Reactome pathway
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| Article
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| 1.54E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT3-expressing S2 cells |
Life Sci 69: 2123-35 (2001)
Article DOI: 10.1016/s0024-3205(01)01296-6
BindingDB Entry DOI: 10.7270/Q2XD14JB |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 8
(Homo sapiens (Human)) | BDBM50240008
(Aminohippuric Acid | CHEBI:104011 | PAHA | Para-Am...)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) | Reactome pathway
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| Article
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| 1.96E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT3-expressing S2 cells |
Life Sci 69: 2123-35 (2001)
Article DOI: 10.1016/s0024-3205(01)01296-6
BindingDB Entry DOI: 10.7270/Q2XD14JB |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Homo sapiens (Human)) | BDBM85245
(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) | PDB
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| 1.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT1-expressing S2 cells |
Life Sci 69: 2123-35 (2001)
Article DOI: 10.1016/s0024-3205(01)01296-6
BindingDB Entry DOI: 10.7270/Q2XD14JB |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 11
(Homo sapiens (Human)) | BDBM50003019
(8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipro...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC1CC(C2)C3 |THB:22:21:18:24.23.25,22:23:18:21.20| Show InChI InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22) | Reactome pathway
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| 2.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of E1S uptake in OAT4-expressing S2 cells |
J Pharmacol Exp Ther 301: 797-802 (2002)
BindingDB Entry DOI: 10.7270/Q2V989BQ |
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 |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells |
Eur J Pharmacol 419: 113-20 (2001)
BindingDB Entry DOI: 10.7270/Q2S183SP |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 8
(Homo sapiens (Human)) | 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) | Reactome pathway
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| 2.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of MTX uptake in OAT3-expressing S2 cells |
J Pharmacol Exp Ther 302: 666-71 (2002)
Article DOI: 10.1124/jpet.102.034330
BindingDB Entry DOI: 10.7270/Q2HH6MBN |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 16
(Homo sapiens (Human)) | BDBM50037268
((-)-Carnitine | (-)-L-Carnitine | (3R)-3-hydroxy-4...)Show InChI InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1 | Reactome pathway
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| 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of carnitine in Xenopus laevis oocytes |
J Biol Chem 277: 36262-71 (2002)
Article DOI: 10.1074/jbc.M203883200
BindingDB Entry DOI: 10.7270/Q20003CS |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 8
(Homo sapiens (Human)) | BDBM50022309
(3,5-Dioxo-1,2-diphenyl-4-n-butylpyrazolidine | 4-b...)Show InChI InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,22H,2-3,14H2,1H3 | Reactome pathway
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| 3.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of MTX uptake in OAT3-expressing S2 cells |
J Pharmacol Exp Ther 302: 666-71 (2002)
Article DOI: 10.1124/jpet.102.034330
BindingDB Entry DOI: 10.7270/Q2HH6MBN |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 11
(Homo sapiens (Human)) | 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) | Reactome pathway
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| 4.44E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT4-expressing S2 cells |
Biochim Biophys Acta 1590: 64-75 (2002)
BindingDB Entry DOI: 10.7270/Q2DZ09JW |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 8
(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) | Reactome pathway
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| 4.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of E1S uptake in OAT3-expressing S2 cells |
Eur J Pharmacol 419: 113-20 (2001)
BindingDB Entry DOI: 10.7270/Q2S183SP |
More data for this
Ligand-Target Pair | |
Carbamoyl-phosphate synthase small chain
(Escherichia coli (strain K12)) | BDBM93009
(Glutamine Analogue, 1)Show InChI InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10) | PDB
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PubMed
| 5.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Texas A&M University
| Assay Description
The rate of carbamoyl phosphate synthesis was determined by use of a coupled enzyme assay with ornithine transcarbamoylase. |
Biochemistry 30: 7901-7 (1991)
Article DOI: 10.1021/bi00246a005
BindingDB Entry DOI: 10.7270/Q27D2SR2 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 11
(Homo sapiens (Human)) | 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) | Reactome pathway
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| 5.49E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of E1S uptake in OAT4-expressing S2 cells |
J Pharmacol Exp Ther 301: 797-802 (2002)
BindingDB Entry DOI: 10.7270/Q2V989BQ |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 8
(Homo sapiens (Human)) | BDBM50022787
((+)-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 | Reactome pathway
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| DrugBank
Article
PubMed
| 9.76E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of MTX uptake in OAT3-expressing S2 cells |
J Pharmacol Exp Ther 302: 666-71 (2002)
Article DOI: 10.1124/jpet.102.034330
BindingDB Entry DOI: 10.7270/Q2HH6MBN |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 11
(Homo sapiens (Human)) | BDBM85245
(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) | Reactome pathway
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| 1.08E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT4-expressing S2 cells |
Biochim Biophys Acta 1590: 64-75 (2002)
BindingDB Entry DOI: 10.7270/Q2DZ09JW |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 8
(Homo sapiens (Human)) | BDBM50367502
(CILASTATIN)Show SMILES CC1(C)C[C@@H]1C(=O)N\C(=C/CCCCSC[C@H](N)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m1/s1 | Reactome pathway
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| 2.31E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of E1S uptake in OAT3-expressing S2 cells |
Eur J Pharmacol 419: 113-20 (2001)
BindingDB Entry DOI: 10.7270/Q2S183SP |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 11
(Homo sapiens (Human)) | BDBM23432
(octanoate | octanoate, 1 | octanoic acid | octanoi...)Show InChI InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/p-1 | Reactome pathway
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| 2.36E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT4-expressing S2 cells |
Biochim Biophys Acta 1590: 64-75 (2002)
BindingDB Entry DOI: 10.7270/Q2DZ09JW |
More data for this
Ligand-Target Pair | |
Carbamoyl-phosphate synthase small chain
(Escherichia coli (strain K12)) | BDBM93011
(Glutamine Analogue, 3)Show InChI InChI=1S/C5H11N3O3/c6-3(5(10)11)1-2-4(9)8-7/h3H,1-2,6-7H2,(H,8,9)(H,10,11) | PDB
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PubMed
| 3.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Texas A&M University
| Assay Description
The rate of carbamoyl phosphate synthesis was determined by use of a coupled enzyme assay with ornithine transcarbamoylase. |
Biochemistry 30: 7901-7 (1991)
Article DOI: 10.1021/bi00246a005
BindingDB Entry DOI: 10.7270/Q27D2SR2 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 11
(Homo sapiens (Human)) | BDBM50344961
(CHEMBL510139 | citrinin)Show SMILES C[C@H]1OC=C2C(=O)C(C(O)=O)C(=O)C(C)=C2[C@@H]1C |r,c:14,t:3| Show InChI InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,10H,1-3H3,(H,16,17)/t5-,7-,10?/m1/s1 | Reactome pathway
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| PubMed
| 3.66E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT4-expressing S2 cells |
Biochim Biophys Acta 1590: 64-75 (2002)
BindingDB Entry DOI: 10.7270/Q2DZ09JW |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 11
(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) | Reactome pathway
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| 5.02E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of E1S uptake in OAT4-expressing S2 cells |
J Pharmacol Exp Ther 301: 797-802 (2002)
BindingDB Entry DOI: 10.7270/Q2V989BQ |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 7
(Homo sapiens (Human)) | 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) | Reactome pathway
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| 7.66E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of PGF2alpha uptake in OAT2-expressing S2 cells |
J Pharmacol Exp Ther 301: 797-802 (2002)
BindingDB Entry DOI: 10.7270/Q2V989BQ |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 8
(Homo sapiens (Human)) | 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) | Reactome pathway
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| DrugBank
Article
PubMed
| 1.02E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of MTX uptake in OAT3-expressing S2 cells |
J Pharmacol Exp Ther 302: 666-71 (2002)
Article DOI: 10.1124/jpet.102.034330
BindingDB Entry DOI: 10.7270/Q2HH6MBN |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 8
(Homo sapiens (Human)) | BDBM50022271
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)Show InChI InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19) | Reactome pathway
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Article
PubMed
| 1.16E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of MTX uptake in OAT3-expressing S2 cells |
J Pharmacol Exp Ther 302: 666-71 (2002)
Article DOI: 10.1124/jpet.102.034330
BindingDB Entry DOI: 10.7270/Q2HH6MBN |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 8
(Homo sapiens (Human)) | 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) | Reactome pathway
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PubMed
| 1.17E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of MTX uptake in OAT3-expressing S2 cells |
J Pharmacol Exp Ther 302: 666-71 (2002)
Article DOI: 10.1124/jpet.102.034330
BindingDB Entry DOI: 10.7270/Q2HH6MBN |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 8
(Homo sapiens (Human)) | BDBM85245
(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) | Reactome pathway
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| DrugBank
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PubMed
| 1.20E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of MTX uptake in OAT3-expressing S2 cells |
J Pharmacol Exp Ther 302: 666-71 (2002)
Article DOI: 10.1124/jpet.102.034330
BindingDB Entry DOI: 10.7270/Q2HH6MBN |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Homo sapiens (Human)) | BDBM50367502
(CILASTATIN)Show SMILES CC1(C)C[C@@H]1C(=O)N\C(=C/CCCCSC[C@H](N)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m1/s1 | PDB
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| 1.47E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells |
Eur J Pharmacol 419: 113-20 (2001)
BindingDB Entry DOI: 10.7270/Q2S183SP |
More data for this
Ligand-Target Pair | |
Monocarboxylate transporter 10
(Rattus norvegicus) | BDBM50043821
((S)-2-Acetylamino-3-(1H-indol-3-yl)-propionic acid...)Show InChI InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)/t12-/m0/s1 | KEGG
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| 1.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of L-tryptophan uptake in Xenopus laevis oocytes |
J Biol Chem 276: 17221-8 (2001)
Article DOI: 10.1074/jbc.M009462200
BindingDB Entry DOI: 10.7270/Q26D5V8F |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Homo sapiens (Human)) | BDBM50344961
(CHEMBL510139 | citrinin)Show SMILES C[C@H]1OC=C2C(=O)C(C(O)=O)C(=O)C(C)=C2[C@@H]1C |r,c:14,t:3| Show InChI InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,10H,1-3H3,(H,16,17)/t5-,7-,10?/m1/s1 | PDB
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| 3.08E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT1-expressing S2 cells |
Life Sci 69: 2123-35 (2001)
Article DOI: 10.1016/s0024-3205(01)01296-6
BindingDB Entry DOI: 10.7270/Q2XD14JB |
More data for this
Ligand-Target Pair | |
Monocarboxylate transporter 10
(Rattus norvegicus) | BDBM92690
(L-Abrine, 12)Show InChI InChI=1S/C12H12N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,1,6H2,(H,15,16) | KEGG
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| 3.10E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of L-tryptophan uptake in Xenopus laevis oocytes |
J Biol Chem 276: 17221-8 (2001)
Article DOI: 10.1074/jbc.M009462200
BindingDB Entry DOI: 10.7270/Q26D5V8F |
More data for this
Ligand-Target Pair | |
Carbamoyl-phosphate synthase small chain
(Escherichia coli (strain K12)) | BDBM93013
(Glutamine Analogue, 5)Show InChI InChI=1S/C6H11NO4/c1-11-5(8)3-2-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10) | PDB
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| 2.50E+7 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Texas A&M University
| Assay Description
The rate of carbamoyl phosphate synthesis was determined by use of a coupled enzyme assay with ornithine transcarbamoylase. |
Biochemistry 30: 7901-7 (1991)
Article DOI: 10.1021/bi00246a005
BindingDB Entry DOI: 10.7270/Q27D2SR2 |
More data for this
Ligand-Target Pair | |
Carbamoyl-phosphate synthase small chain
(Escherichia coli (strain K12)) | BDBM93012
(Glutamine Analogue, 4)Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1 | PDB
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| 2.80E+7 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Texas A&M University
| Assay Description
The rate of carbamoyl phosphate synthesis was determined by use of a coupled enzyme assay with ornithine transcarbamoylase. |
Biochemistry 30: 7901-7 (1991)
Article DOI: 10.1021/bi00246a005
BindingDB Entry DOI: 10.7270/Q27D2SR2 |
More data for this
Ligand-Target Pair | |
D-3-phosphoglycerate dehydrogenase
(Homo sapiens (Human)) | BDBM195606
(NCT-503)Show SMILES Cc1cc(C)nc(NC(=S)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)c1 Show InChI InChI=1S/C20H23F3N4S/c1-14-11-15(2)24-18(12-14)25-19(28)27-9-7-26(8-10-27)13-16-3-5-17(6-4-16)20(21,22)23/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,25,28) | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | 8.0 | 25 |
Whitehead Institute for Biomedical Research
| Assay Description
PHGDH assay buffer contained 50 mM TEA pH 8.0, 10 mM MgCl2, 0.05% BSA, and 0.01% Tween-20. PHGDH enzyme buffer consisted of assay buffer with 20 nM P... |
Nat Chem Biol 12: 452-8 (2016)
Article DOI: 10.1038/nchembio.2070
BindingDB Entry DOI: 10.7270/Q2H70DN5 |
More data for this
Ligand-Target Pair | |
D-3-phosphoglycerate dehydrogenase
(Homo sapiens (Human)) | BDBM195605
(NCT-502 | US11225469, Compound 72)Show SMILES Cc1cc(C)nc(NC(=S)N2CCN(CC2)c2ccc(cn2)C(F)(F)F)c1 Show InChI InChI=1S/C18H20F3N5S/c1-12-9-13(2)23-15(10-12)24-17(27)26-7-5-25(6-8-26)16-4-3-14(11-22-16)18(19,20)21/h3-4,9-11H,5-8H2,1-2H3,(H,23,24,27) | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | 8.0 | 25 |
Whitehead Institute for Biomedical Research
| Assay Description
PHGDH assay buffer contained 50 mM TEA pH 8.0, 10 mM MgCl2, 0.05% BSA, and 0.01% Tween-20. PHGDH enzyme buffer consisted of assay buffer with 20 nM P... |
Nat Chem Biol 12: 452-8 (2016)
Article DOI: 10.1038/nchembio.2070
BindingDB Entry DOI: 10.7270/Q2H70DN5 |
More data for this
Ligand-Target Pair | |
D-3-phosphoglycerate dehydrogenase
(Homo sapiens (Human)) | BDBM58473
(MLS001172437 | N-(4-methyl-2-pyridinyl)-4-[3-(trif...)Show SMILES Cc1ccnc(NC(=S)N2CCN(CC2)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C18H19F3N4S/c1-13-5-6-22-16(11-13)23-17(26)25-9-7-24(8-10-25)15-4-2-3-14(12-15)18(19,20)21/h2-6,11-12H,7-10H2,1H3,(H,22,23,26) | PDB
UniProtKB/SwissProt
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Similars
| Article
PubMed
| n/a | n/a | 1.53E+4 | n/a | n/a | n/a | n/a | 8.0 | 25 |
Whitehead Institute for Biomedical Research
| Assay Description
PHGDH assay buffer contained 50 mM TEA pH 8.0, 10 mM MgCl2, 0.05% BSA, and 0.01% Tween-20. PHGDH enzyme buffer consisted of assay buffer with 20 nM P... |
Nat Chem Biol 12: 452-8 (2016)
Article DOI: 10.1038/nchembio.2070
BindingDB Entry DOI: 10.7270/Q2H70DN5 |
More data for this
Ligand-Target Pair | |
D-3-phosphoglycerate dehydrogenase
(Homo sapiens (Human)) | BDBM195607
(PHGDH-inactive | US11225469, Compound 71)Show InChI InChI=1S/C17H21N5S/c1-13-11-14(2)19-16(12-13)20-17(23)22-9-7-21(8-10-22)15-3-5-18-6-4-15/h3-6,11-12H,7-10H2,1-2H3,(H,19,20,23) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.70E+4 | n/a | n/a | n/a | n/a | 8.0 | 25 |
Whitehead Institute for Biomedical Research
| Assay Description
PHGDH assay buffer contained 50 mM TEA pH 8.0, 10 mM MgCl2, 0.05% BSA, and 0.01% Tween-20. PHGDH enzyme buffer consisted of assay buffer with 20 nM P... |
Nat Chem Biol 12: 452-8 (2016)
Article DOI: 10.1038/nchembio.2070
BindingDB Entry DOI: 10.7270/Q2H70DN5 |
More data for this
Ligand-Target Pair | |
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