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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Solute carrier organic anion transporter family member 4C1'   
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 4C1


(Homo sapiens)
BDBM46356
PNG
(DIGITOXIN | MLS000069787 | SMR000058529 | US106680...)
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]4CC[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C |t:45|
Show InChI InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
MMDB

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MCE
KEGG
PC cid
PC sid
PDB
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Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Tohoku University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Digoxin uptake in OATP4C1-expressing MDCK cells


Proc Natl Acad Sci U S A 101: 3569-74 (2004)


Article DOI: 10.1073/pnas.0304987101
BindingDB Entry DOI: 10.7270/Q2WQ06NX
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 4C1


(Homo sapiens)
BDBM225707
PNG
(CS337 | Digoxigenin)
Show SMILES C[C@@]12[C@H](CC[C@]1(O)[C@@H]1CC[C@@H]3C[C@@H](O)CC[C@]3(C)[C@H]1C[C@H]2O)C1=CC(=O)OC1 |t:26|
Show InChI InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1
MMDB

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MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 490n/an/an/an/an/an/a



Tohoku University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Digoxin uptake in OATP4C1-expressing MDCK cells


Proc Natl Acad Sci U S A 101: 3569-74 (2004)


Article DOI: 10.1073/pnas.0304987101
BindingDB Entry DOI: 10.7270/Q2WQ06NX
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 4C1


(Homo sapiens)
BDBM50301375
PNG
(3,3',5,5'-tetraiodo-L-thyronine | 3,5,3',5'-tetrai...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O |r|
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-/m0/s1
MMDB

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CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Tohoku University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Triiodothyronine uptake in OATP4C1-expressing MDCK cells


Proc Natl Acad Sci U S A 101: 3569-74 (2004)


Article DOI: 10.1073/pnas.0304987101
BindingDB Entry DOI: 10.7270/Q2WQ06NX
More data for this
Ligand-Target Pair