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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' and Ligand = 'BDBM50358691'   
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


(Homo sapiens (Human))
BDBM50358691
PNG
(CHEMBL1922143)
Show SMILES COc1cccc(CNC(=O)c2[nH]c3nc(ccc3c2CN2CCOCC2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C24H26N6O3/c1-32-18-4-2-3-16(11-18)12-25-24(31)22-20(15-30-7-9-33-10-8-30)19-5-6-21(28-23(19)29-22)17-13-26-27-14-17/h2-6,11,13-14H,7-10,12,15H2,1H3,(H,25,31)(H,26,27)(H,28,29)
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Similars

Article
PubMed
n/an/a 91n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
BindingDB Entry DOI: 10.7270/Q2F1905N
More data for this
Ligand-Target Pair