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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 = 'BDBM50433151'   
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))
BDBM50433151
PNG
(CHEMBL2377763)
Show SMILES Fc1ccc(cc1)N1CCN(CC(=O)Nc2nc3CCCCCc3s2)CC1
Show InChI InChI=1S/C20H25FN4OS/c21-15-6-8-16(9-7-15)25-12-10-24(11-13-25)14-19(26)23-20-22-17-4-2-1-3-5-18(17)27-20/h6-9H,1-5,10-14H2,(H,22,23,26)
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UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 120n/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)
BDBM50433151
PNG
(CHEMBL2377763)
Show SMILES Fc1ccc(cc1)N1CCN(CC(=O)Nc2nc3CCCCCc3s2)CC1
Show InChI InChI=1S/C20H25FN4OS/c21-15-6-8-16(9-7-15)25-12-10-24(11-13-25)14-19(26)23-20-22-17-4-2-1-3-5-18(17)27-20/h6-9H,1-5,10-14H2,(H,22,23,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+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