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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Solute carrier family 22 member 6' and Ligand = 'BDBM50016799'   
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 family 22 member 6


(Rattus norvegicus)
BDBM50016799
PNG
((1,8-Diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol...)
Show SMILES CCc1cccc2c3CCOC(CC)(CC(O)=O)c3[nH]c12
Show InChI InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)
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PC cid
PC sid
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Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/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


(Homo sapiens (Human))
BDBM50016799
PNG
((1,8-Diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol...)
Show SMILES CCc1cccc2c3CCOC(CC)(CC(O)=O)c3[nH]c12
Show InChI InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)
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CHEMBL
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PC cid
PC sid
PDB
UniChem

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DrugBank
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Adefovir uptake in OAT1-expressing CHO cells


J Pharmacol Exp Ther 295: 10-5 (2000)


BindingDB Entry DOI: 10.7270/Q2TB186W
More data for this
Ligand-Target Pair