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SMILES: Cc1cnc(Nc2ccc(cc2)S(N)(=O)=O)nc1Nc1nc2ccccc2s1

InChI Key: InChIKey=ZMMQBFMCEGTJCX-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50513524   
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
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50513524
PNG
(CHEMBL4475342)
Show SMILES Cc1cnc(Nc2ccc(cc2)S(N)(=O)=O)nc1Nc1nc2ccccc2s1
Show InChI InChI=1S/C18H16N6O2S2/c1-11-10-20-17(21-12-6-8-13(9-7-12)28(19,25)26)23-16(11)24-18-22-14-4-2-3-5-15(14)27-18/h2-10H,1H3,(H2,19,25,26)(H2,20,21,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A2 (unknown origin) using histone H1 and ATP as substrate incubated for 40 mins by kinase-glo luminescence assay


Eur J Med Chem 179: 196-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.055
BindingDB Entry DOI: 10.7270/Q2833WCZ
More data for this
Ligand-Target Pair