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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 = 'BDBM50387675'   
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))
BDBM50387675
PNG
(CHEMBL2058080)
Show SMILES CCn1c(CNc2ccccc2)nnc1SCC(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H21N5O3S/c1-2-25-17(12-21-15-6-4-3-5-7-15)23-24-20(25)29-13-18(26)22-16-10-8-14(9-11-16)19(27)28/h3-11,21H,2,12-13H2,1H3,(H,22,26)(H,27,28)
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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FATP1 acyl-coA synthetase activity using [14C]oleic acid as substrate


Bioorg Med Chem Lett 22: 5067-70 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.130
BindingDB Entry DOI: 10.7270/Q2VD70HW
More data for this
Ligand-Target Pair
Long-chain fatty acid transport protein 1


(Mus musculus)
BDBM50387675
PNG
(CHEMBL2058080)
Show SMILES CCn1c(CNc2ccccc2)nnc1SCC(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H21N5O3S/c1-2-25-17(12-21-15-6-4-3-5-7-15)23-24-20(25)29-13-18(26)22-16-10-8-14(9-11-16)19(27)28/h3-11,21H,2,12-13H2,1H3,(H,22,26)(H,27,28)
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 recombinant FATP1 acyl-coA synthetase activity using [14C]oleic acid as substrate


Bioorg Med Chem Lett 22: 5067-70 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.130
BindingDB Entry DOI: 10.7270/Q2VD70HW
More data for this
Ligand-Target Pair