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BDBM50433141 CHEMBL2377623

SMILES: O=C(CN1CCN(CC1)c1nccs1)Nc1nc2CCCCc2s1

InChI Key: InChIKey=ZDTGFZLFPOZTDP-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50433141   
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))
BDBM50433141
PNG
(CHEMBL2377623)
Show SMILES O=C(CN1CCN(CC1)c1nccs1)Nc1nc2CCCCc2s1
Show InChI InChI=1S/C16H21N5OS2/c22-14(19-15-18-12-3-1-2-4-13(12)24-15)11-20-6-8-21(9-7-20)16-17-5-10-23-16/h5,10H,1-4,6-9,11H2,(H,18,19,22)
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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 520n/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)
BDBM50433141
PNG
(CHEMBL2377623)
Show SMILES O=C(CN1CCN(CC1)c1nccs1)Nc1nc2CCCCc2s1
Show InChI InChI=1S/C16H21N5OS2/c22-14(19-15-18-12-3-1-2-4-13(12)24-15)11-20-6-8-21(9-7-20)16-17-5-10-23-16/h5,10H,1-4,6-9,11H2,(H,18,19,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.90E+3n/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