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BDBM50387685 CHEMBL2058357

SMILES: CCn1c(CNc2ccccc2)nnc1SCc1nc2ccc(Cl)cc2o1

InChI Key: InChIKey=SXXIIWDKNIMVOA-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50387685   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50387685
PNG
(CHEMBL2058357)
Show SMILES CCn1c(CNc2ccccc2)nnc1SCc1nc2ccc(Cl)cc2o1
Show InChI InChI=1S/C19H18ClN5OS/c1-2-25-17(11-21-14-6-4-3-5-7-14)23-24-19(25)27-12-18-22-15-9-8-13(20)10-16(15)26-18/h3-10,21H,2,11-12H2,1H3
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KEGG

UniProtKB/SwissProt

GoogleScholar
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)
BDBM50387685
PNG
(CHEMBL2058357)
Show SMILES CCn1c(CNc2ccccc2)nnc1SCc1nc2ccc(Cl)cc2o1
Show InChI InChI=1S/C19H18ClN5OS/c1-2-25-17(11-21-14-6-4-3-5-7-14)23-24-19(25)27-12-18-22-15-9-8-13(20)10-16(15)26-18/h3-10,21H,2,11-12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.40E+3n/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