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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 = 'BDBM50387703'   
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))
BDBM50387703
PNG
(CHEMBL2058093)
Show SMILES CCn1c(CNc2ccccc2)nnc1SCC(=O)Nc1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H25N5O2S/c1-2-31-23(17-27-21-11-7-4-8-12-21)29-30-26(31)34-18-24(32)28-22-15-13-20(14-16-22)25(33)19-9-5-3-6-10-19/h3-16,27H,2,17-18H2,1H3,(H,28,32)
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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)
BDBM50387703
PNG
(CHEMBL2058093)
Show SMILES CCn1c(CNc2ccccc2)nnc1SCC(=O)Nc1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H25N5O2S/c1-2-31-23(17-27-21-11-7-4-8-12-21)29-30-26(31)34-18-24(32)28-22-15-13-20(14-16-22)25(33)19-9-5-3-6-10-19/h3-16,27H,2,17-18H2,1H3,(H,28,32)
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