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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'CaM Kinase II' and Ligand = 'BDBM6851'   
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
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6851
PNG
(5-{3-[(4-hydroxycyclohexyl)amino]propyl}-18-methyl...)
Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCCN[C@H]6CC[C@H](O)CC6)cccc5c4c4C(=O)NC(=O)c4c3c12 |r,wU:19.19,wD:16.15,(3.5,4.11,;3.82,2.6,;5.23,1.97,;5.06,.44,;3.56,.12,;2.79,-1.21,;1.25,-1.21,;.48,.12,;-1.06,.12,;-2.09,-1.02,;-3.5,-.4,;-4.91,-1.02,;-5.07,-2.55,;-6.44,-3.25,;-6.84,-4.74,;-8.32,-5.14,;-9.66,-4.37,;-9.66,-2.83,;-10.99,-2.06,;-12.33,-2.83,;-13.66,-2.06,;-12.33,-4.37,;-10.99,-5.14,;-6.15,-.12,;-5.99,1.42,;-4.58,2.04,;-3.34,1.14,;-1.83,1.46,;-1.06,2.79,;-1.54,4.25,;-3,4.73,;-.29,5.16,;.95,4.25,;2.42,4.73,;.48,2.79,;1.25,1.46,;2.79,1.46,)|
Show InChI InChI=1S/C30H30N4O3/c1-34-15-13-17-7-12-21-23(28(17)34)25-24(29(36)33-30(25)37)22-20-6-2-4-16(26(20)32-27(21)22)5-3-14-31-18-8-10-19(35)11-9-18/h2,4,6-7,12-13,15,18-19,31-32,35H,3,5,8-11,14H2,1H3,(H,33,36,37)/t18-,19-
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 216n/an/an/an/an/a25



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1021/jm060173k
More data for this
Ligand-Target Pair