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BDBM50429937 CHEMBL2334243

SMILES: OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)C1CCCCC1

InChI Key: InChIKey=GZCDUXHGOAMQOY-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 = 50429937   
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
Fatty acid binding protein muscle


(Homo sapiens (Human))
BDBM50429937
PNG
(CHEMBL2334243)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)C1CCCCC1
Show InChI InChI=1S/C25H28N2O3/c28-25(29)16-9-17-30-24-15-8-7-14-21(24)22-18-23(19-10-3-1-4-11-19)27(26-22)20-12-5-2-6-13-20/h1,3-4,7-8,10-11,14-15,18,20H,2,5-6,9,12-13,16-17H2,(H,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.26E+3n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50429937
PNG
(CHEMBL2334243)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)C1CCCCC1
Show InChI InChI=1S/C25H28N2O3/c28-25(29)16-9-17-30-24-15-8-7-14-21(24)22-18-23(19-10-3-1-4-11-19)27(26-22)20-12-5-2-6-13-20/h1,3-4,7-8,10-11,14-15,18,20H,2,5-6,9,12-13,16-17H2,(H,28,29)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.35E+4n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP4 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair