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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 1 (ROCK I)' and Ligand = 'BDBM24995'   
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
Rho-associated protein kinase 1 (ROCK I)


(Rattus norvegicus (Rat))
BDBM24995
PNG
(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-(piperi...)
Show SMILES CCn1c(nc2cncc(C(=O)NC3CCNCC3)c12)-c1nonc1N
Show InChI InChI=1S/C16H20N8O2/c1-2-24-13-10(16(25)20-9-3-5-18-6-4-9)7-19-8-11(13)21-15(24)12-14(17)23-26-22-12/h7-9,18H,2-6H2,1H3,(H2,17,23)(H,20,25)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair