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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 = 'BDBM50433137'   
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))
BDBM50433137
PNG
(CHEMBL2377618)
Show SMILES CCN(C(=O)CN1CCN(CC1)c1ccc(F)cn1)c1nc2CCCCc2s1
Show InChI InChI=1S/C20H26FN5OS/c1-2-26(20-23-16-5-3-4-6-17(16)28-20)19(27)14-24-9-11-25(12-10-24)18-8-7-15(21)13-22-18/h7-8,13H,2-6,9-12,14H2,1H3
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 780n/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)
BDBM50433137
PNG
(CHEMBL2377618)
Show SMILES CCN(C(=O)CN1CCN(CC1)c1ccc(F)cn1)c1nc2CCCCc2s1
Show InChI InChI=1S/C20H26FN5OS/c1-2-26(20-23-16-5-3-4-6-17(16)28-20)19(27)14-24-9-11-25(12-10-24)18-8-7-15(21)13-22-18/h7-8,13H,2-6,9-12,14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/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