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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 = 'BDBM50387673'   
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))
BDBM50387673
PNG
(CHEMBL2058082)
Show SMILES CCn1c(CNc2ccccc2)nnc1SCC(=O)Nc1ccc(cc1)C(=O)N(C)C
Show InChI InChI=1S/C22H26N6O2S/c1-4-28-19(14-23-17-8-6-5-7-9-17)25-26-22(28)31-15-20(29)24-18-12-10-16(11-13-18)21(30)27(2)3/h5-13,23H,4,14-15H2,1-3H3,(H,24,29)
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UniProtKB/SwissProt

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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)
BDBM50387673
PNG
(CHEMBL2058082)
Show SMILES CCn1c(CNc2ccccc2)nnc1SCC(=O)Nc1ccc(cc1)C(=O)N(C)C
Show InChI InChI=1S/C22H26N6O2S/c1-4-28-19(14-23-17-8-6-5-7-9-17)25-26-22(28)31-15-20(29)24-18-12-10-16(11-13-18)21(30)27(2)3/h5-13,23H,4,14-15H2,1-3H3,(H,24,29)
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