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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-Dependent Kinase 1 (CDK1)' and Ligand = 'BDBM6876'   
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 1 (CDK1)


(Homo sapiens (Human))
BDBM6876
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3l ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1S(=O)(=O)c1c(F)cccc1F
Show InChI InChI=1S/C14H12F2N6O4S2/c15-10-2-1-3-11(16)12(10)28(25,26)22-13(17)20-14(21-22)19-8-4-6-9(7-5-8)27(18,23)24/h1-7H,(H2,18,23,24)(H3,17,19,20,21)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 660n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...


J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair