Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50042032 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 organic anion transporter family member 1A4
(Rattus norvegicus) | BDBM46355
(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)Show SMILES C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C |t:46| Show InChI InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1 | Reactome pathway
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| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp2-expressing LLC-PK1 cells |
J Pharmacol Exp Ther 298: 316-22 (2001)
BindingDB Entry DOI: 10.7270/Q2XW4M2T |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1A1
(Rattus norvegicus) | BDBM50375594
(TAUROCHOLATE)Show SMILES C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |r| Show InChI InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1 | Reactome pathway
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| 1.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing LLC-PK1 cells |
J Pharmacol Exp Ther 298: 316-22 (2001)
BindingDB Entry DOI: 10.7270/Q2XW4M2T |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 8
(Rattus norvegicus) | 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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| 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in Oat3-expressing LLC-PK1 cells |
J Pharmacol Exp Ther 298: 316-22 (2001)
BindingDB Entry DOI: 10.7270/Q2XW4M2T |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Rattus norvegicus) | 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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PubMed
| 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Solute carrier organic anion transporter family member 1A4
(Rattus norvegicus) | BDBM50375594
(TAUROCHOLATE)Show SMILES C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |r| Show InChI InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1 | Reactome pathway
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| 3.94E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp2-expressing LLC-PK1 cells |
J Pharmacol Exp Ther 298: 316-22 (2001)
BindingDB Entry DOI: 10.7270/Q2XW4M2T |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1A4
(Rattus norvegicus) | 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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| 7.29E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp2-expressing LLC-PK1 cells |
J Pharmacol Exp Ther 298: 316-22 (2001)
BindingDB Entry DOI: 10.7270/Q2XW4M2T |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1A1
(Rattus norvegicus) | BDBM50206509
(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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| 7.44E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing LLC-PK1 cells |
J Pharmacol Exp Ther 298: 316-22 (2001)
BindingDB Entry DOI: 10.7270/Q2XW4M2T |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 8
(Rattus norvegicus) | 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 | Reactome pathway
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| 3.01E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in Oat3-expressing LLC-PK1 cells |
J Pharmacol Exp Ther 298: 316-22 (2001)
BindingDB Entry DOI: 10.7270/Q2XW4M2T |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 8
(Rattus norvegicus) | BDBM50375594
(TAUROCHOLATE)Show SMILES C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |r| Show InChI InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1 | Reactome pathway
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| 7.90E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in Oat3-expressing LLC-PK1 cells |
J Pharmacol Exp Ther 298: 316-22 (2001)
BindingDB Entry DOI: 10.7270/Q2XW4M2T |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Rattus norvegicus) | BDBM50375594
(TAUROCHOLATE)Show SMILES C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |r| Show InChI InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1 | PDB
Reactome pathway
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| 2.77E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
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