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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Solute carrier family 22 member 5' AND taxid = 10116   
Target
(Institution)
LigandTarget
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 5


(Rattus norvegicus)
BDBM50375327
PNG
(CHEMBL410874)
Show SMILES C[N+](C)(C)C[C@H](CC(O)=O)OC(=O)CCCCCCCCCCCCCCCO[N+]([O-])=O
Show InChI InChI=1S/C23H44N2O7/c1-25(2,3)20-21(19-22(26)27)32-23(28)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-31-24(29)30/h21H,4-20H2,1-3H3/p+1/t21-/m0/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 5.30E+4n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of rat kidney brush border membrane OCTN2 transporter assessed as [3H]carnitine uptake after 10 mins


Bioorg Med Chem 16: 1444-51 (2008)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 5


(Rattus norvegicus)
BDBM50375326
PNG
(CHEMBL260616)
Show SMILES C[N+](C)(C)C[C@H](CC(O)=O)OC(=O)CCCCCO[N+]([O-])=O
Show InChI InChI=1S/C13H24N2O7/c1-15(2,3)10-11(9-12(16)17)22-13(18)7-5-4-6-8-21-14(19)20/h11H,4-10H2,1-3H3/p+1/t11-/m0/s1
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UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a 7.60E+4n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of rat kidney brush border membrane OCTN2 transporter assessed as [3H]carnitine uptake after 10 mins


Bioorg Med Chem 16: 1444-51 (2008)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 5


(Rattus norvegicus)
BDBM50375328
PNG
(CHEMBL410276)
Show SMILES CCOC(=O)C[C@@H](C[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCO[N+]([O-])=O
Show InChI InChI=1S/C25H49N2O7/c1-5-32-25(29)21-23(22-27(2,3)4)34-24(28)19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-33-26(30)31/h23H,5-22H2,1-4H3/q+1/t23-/m0/s1
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UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 4.43E+5n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of rat kidney brush border membrane OCTN2 transporter assessed as [3H]carnitine uptake after 10 mins


Bioorg Med Chem 16: 1444-51 (2008)

More data for this
Ligand-Target Pair