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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetyl-coenzyme A synthetase, cytoplasmic' and Ligand = 'BDBM50517059'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetyl-coenzyme A synthetase, cytoplasmic


(Homo sapiens)
BDBM50517059
PNG
(CHEMBL4535842)
Show SMILES COc1ccc(cc1OC)N1N=C(C)C(C(=O)Nc2cccc(c2)C(C)(F)F)C1=O
Show InChI InChI=1S/C21H21F2N3O4/c1-12-18(19(27)24-14-7-5-6-13(10-14)21(2,22)23)20(28)26(25-12)15-8-9-16(29-3)17(11-15)30-4/h5-11,18H,1-4H3,(H,24,27)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/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