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BDBM50433153 CHEMBL2377764

SMILES: Fc1ccc(cc1)N1CCN(CC(=O)Nc2nc3CCCCc3o2)CC1

InChI Key: InChIKey=NUZARGRTLLDKEI-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   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 = 50433153   
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))
BDBM50433153
PNG
(CHEMBL2377764)
Show SMILES Fc1ccc(cc1)N1CCN(CC(=O)Nc2nc3CCCCc3o2)CC1
Show InChI InChI=1S/C19H23FN4O2/c20-14-5-7-15(8-6-14)24-11-9-23(10-12-24)13-18(25)22-19-21-16-3-1-2-4-17(16)26-19/h5-8H,1-4,9-13H2,(H,21,22,25)
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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/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)
BDBM50433153
PNG
(CHEMBL2377764)
Show SMILES Fc1ccc(cc1)N1CCN(CC(=O)Nc2nc3CCCCc3o2)CC1
Show InChI InChI=1S/C19H23FN4O2/c20-14-5-7-15(8-6-14)24-11-9-23(10-12-24)13-18(25)22-19-21-16-3-1-2-4-17(16)26-19/h5-8H,1-4,9-13H2,(H,21,22,25)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
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 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