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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cyclin-A2/Cyclin-dependent kinase 2' and Ligand = 'BDBM412658'   
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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM412658
PNG
(US10399974, Example 56)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CCCC3)c2n1)-c1nncn1C
Show InChI InChI=1S/C23H26N8O/c1-4-32-19-12-16(21-29-25-14-30(21)3)7-8-18(19)27-23-24-13-17-11-15(2)26-22(20(17)28-23)31-9-5-6-10-31/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,24,27,28)
PDB
MMDB

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Article
PubMed
550n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human N-terminal His-tagged CDK2/cyclinA expressed in baculovirus expression system using 5FAM- peptide18 as substrate afte...


J Med Chem 61: 8226-8240 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00690
BindingDB Entry DOI: 10.7270/Q2J105S9
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM412658
PNG
(US10399974, Example 56)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CCCC3)c2n1)-c1nncn1C
Show InChI InChI=1S/C23H26N8O/c1-4-32-19-12-16(21-29-25-14-30(21)3)7-8-18(19)27-23-24-13-17-11-15(2)26-22(20(17)28-23)31-9-5-6-10-31/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,24,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
UniChem
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human N-terminal His-tagged CDK2/cyclinA expressed in baculovirus expression system using 5FAM- peptide18 as substrate afte...


J Med Chem 61: 8226-8240 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00690
BindingDB Entry DOI: 10.7270/Q2J105S9
More data for this
Ligand-Target Pair