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BDBM50177674 CHEMBL3813892

SMILES: COc1cnccc1-c1c(-c2ccccc2)n(CCC(O)=O)c2ccc(cc12)C1CC1

InChI Key: InChIKey=XQDGPJKJSHQJFB-UHFFFAOYSA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50177674   
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 4 (FABP4)


(Homo sapiens (Human))
BDBM50177674
PNG
(CHEMBL3813892)
Show SMILES COc1cnccc1-c1c(-c2ccccc2)n(CCC(O)=O)c2ccc(cc12)C1CC1
Show InChI InChI=1S/C26H24N2O3/c1-31-23-16-27-13-11-20(23)25-21-15-19(17-7-8-17)9-10-22(21)28(14-12-24(29)30)26(25)18-5-3-2-4-6-18/h2-6,9-11,13,15-17H,7-8,12,14H2,1H3,(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
100n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged human recombinant FABP4 expressed in Escherichia coli BL21 (DE3) by fluorescence assay


ACS Med Chem Lett 7: 435-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00040
BindingDB Entry DOI: 10.7270/Q2RX9F0J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)