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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Solute carrier organic anion transporter family member 1C1'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Solute carrier organic anion transporter family member 1C1


(Mus musculus)
BDBM50225220
PNG
(CHEMBL559 | D-thyroxine | O-(4-hydroxy-3,5-diiodop...)
Show SMILES N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O
Show InChI InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m1/s1
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270n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of L-T4 uptake in Oatp14-expressing HEK293 cells


Endocrinology 145: 4384-91 (2004)


Article DOI: 10.1210/en.2004-0058
BindingDB Entry DOI: 10.7270/Q2251N23
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1C1


(Mus musculus)
BDBM50103763
PNG
(CHEBI:11684 | REVERSE TRIIODOTHYRONINE | Reverse T...)
Show SMILES N[C@@H](Cc1ccc(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O |r|
Show InChI InChI=1S/C15H12I3NO4/c16-9-3-7(4-12(19)15(21)22)1-2-13(9)23-8-5-10(17)14(20)11(18)6-8/h1-3,5-6,12,20H,4,19H2,(H,21,22)/t12-/m0/s1
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KEGG
PC cid
PC sid
UniChem
Article
PubMed
910n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of L-T4 uptake in Oatp14-expressing HEK293 cells


Endocrinology 145: 4384-91 (2004)


Article DOI: 10.1210/en.2004-0058
BindingDB Entry DOI: 10.7270/Q2251N23
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1C1


(Mus musculus)
BDBM18862
PNG
(2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...)
Show SMILES OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
Show InChI InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)
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2.15E+3n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of L-T4 uptake in Oatp14-expressing HEK293 cells


Endocrinology 145: 4384-91 (2004)


Article DOI: 10.1210/en.2004-0058
BindingDB Entry DOI: 10.7270/Q2251N23
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1C1


(Mus musculus)
BDBM18860
PNG
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r|
Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
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2.42E+4n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of L-T4 uptake in Oatp14-expressing HEK293 cells


Endocrinology 145: 4384-91 (2004)


Article DOI: 10.1210/en.2004-0058
BindingDB Entry DOI: 10.7270/Q2251N23
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1C1


(Mus musculus)
BDBM50366524
PNG
(ESTRONE | ESTROPIPATE | Estrone 3-sulfate | Estron...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(O)(=O)=O)ccc34)[C@@H]1CCC2=O
Show InChI InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1
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KEGG
PC cid
PC sid
UniChem
Article
PubMed
5.31E+4n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of L-T4 uptake in Oatp14-expressing HEK293 cells


Endocrinology 145: 4384-91 (2004)


Article DOI: 10.1210/en.2004-0058
BindingDB Entry DOI: 10.7270/Q2251N23
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1C1


(Mus musculus)
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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KEGG
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UniChem
Article
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>1.00E+5n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of L-T4 uptake in Oatp14-expressing HEK293 cells


Endocrinology 145: 4384-91 (2004)


Article DOI: 10.1210/en.2004-0058
BindingDB Entry DOI: 10.7270/Q2251N23
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1C1


(Mus musculus)
BDBM50375594
PNG
(TAUROCHOLATE)
Show SMILES C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |r|
Show InChI InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1
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KEGG
MMDB
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PDB
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Article
PubMed
1.09E+5n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of L-T4 uptake in Oatp14-expressing HEK293 cells


Endocrinology 145: 4384-91 (2004)


Article DOI: 10.1210/en.2004-0058
BindingDB Entry DOI: 10.7270/Q2251N23
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1C1


(Mus musculus)
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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KEGG
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2.93E+5n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of L-T4 uptake in Oatp14-expressing HEK293 cells


Endocrinology 145: 4384-91 (2004)


Article DOI: 10.1210/en.2004-0058
BindingDB Entry DOI: 10.7270/Q2251N23
More data for this
Ligand-Target Pair