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BDBM50517064 CHEMBL4548954

SMILES: COc1ccc(cc1)N1N=C(C)C(C(=O)Nc2cccc(c2)-c2ccco2)C1=O

InChI Key: InChIKey=QZXYZEDIRMCFCW-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50517064   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetyl-coenzyme A synthetase, cytoplasmic


(Homo sapiens)
BDBM50517064
PNG
(CHEMBL4548954)
Show SMILES COc1ccc(cc1)N1N=C(C)C(C(=O)Nc2cccc(c2)-c2ccco2)C1=O
Show InChI InChI=1S/C22H19N3O4/c1-14-20(22(27)25(24-14)17-8-10-18(28-2)11-9-17)21(26)23-16-6-3-5-15(13-16)19-7-4-12-29-19/h3-13,20H,1-2H3,(H,23,26)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



Usona Institute

Curated by ChEMBL


Assay Description
Inhibition of ACSS2 in human MDA-MB-468 cells assessed as 13C-acetate incorporation incubated for 5 hrs measured under hypoxic conditions by LCMS ana...


ACS Med Chem Lett 10: 1100-1101 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00295
More data for this
Ligand-Target Pair