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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Long-chain fatty acid transport protein 1' and Ligand = 'BDBM50433156'   
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
Long-chain fatty acid transport protein 1


(Homo sapiens (Human))
BDBM50433156
PNG
(CHEMBL2377767)
Show SMILES Cc1nc(NC(=O)CN2CCN(CC2)c2ccc(F)cc2)sc1C
Show InChI InChI=1S/C17H21FN4OS/c1-12-13(2)24-17(19-12)20-16(23)11-21-7-9-22(10-8-21)15-5-3-14(18)4-6-15/h3-6H,7-11H2,1-2H3,(H,19,20,23)
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 430n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human FLAG-tagged FATP1-mediated [1-14C] oleic acid conversion to [1-14C] oleoyl-CoA after 20 mins by scintillation counting analysis


Bioorg Med Chem Lett 23: 2560-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.116
BindingDB Entry DOI: 10.7270/Q2H70H6K
More data for this
Ligand-Target Pair
Long-chain fatty acid transport protein 1


(Mus musculus)
BDBM50433156
PNG
(CHEMBL2377767)
Show SMILES Cc1nc(NC(=O)CN2CCN(CC2)c2ccc(F)cc2)sc1C
Show InChI InChI=1S/C17H21FN4OS/c1-12-13(2)24-17(19-12)20-16(23)11-21-7-9-22(10-8-21)15-5-3-14(18)4-6-15/h3-6H,7-11H2,1-2H3,(H,19,20,23)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mouse FLAG-tagged FATP1-mediated [1-14C] oleic acid conversion to [1-14C] oleoyl-CoA after 20 mins by scintillation counting analysis


Bioorg Med Chem Lett 23: 2560-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.116
BindingDB Entry DOI: 10.7270/Q2H70H6K
More data for this
Ligand-Target Pair