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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 2' and Ligand = 'BDBM7692'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7692
PNG
(4-[N -(4-Isobutyl-2-oxo-1,2-dihydro-indol-3-yliden...)
Show SMILES CC(C)Cc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:13.13|
Show InChI InChI=1S/C18H20N4O3S/c1-11(2)10-12-4-3-5-15-16(12)17(18(23)20-15)22-21-13-6-8-14(9-7-13)26(19,24)25/h3-9,11,21H,10H2,1-2H3,(H2,19,24,25)(H,20,22,23)
PDB
MMDB

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Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7692
PNG
(4-[N -(4-Isobutyl-2-oxo-1,2-dihydro-indol-3-yliden...)
Show SMILES CC(C)Cc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:13.13|
Show InChI InChI=1S/C18H20N4O3S/c1-11(2)10-12-4-3-5-15-16(12)17(18(23)20-15)22-21-13-6-8-14(9-7-13)26(19,24)25/h3-9,11,21H,10H2,1-2H3,(H2,19,24,25)(H,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human cyclin dependent kinase 2


J Med Chem 47: 2534-49 (2004)


Article DOI: 10.1021/jm0304358
BindingDB Entry DOI: 10.7270/Q2KH0P3P
More data for this
Ligand-Target Pair