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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 = 'BDBM50358700'   
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))
BDBM50358700
PNG
(CHEMBL1922036)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(nc3n2CC2CC2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C23H23N5O2/c1-30-19-4-2-3-16(9-19)11-24-23(29)21-10-17-7-8-20(18-12-25-26-13-18)27-22(17)28(21)14-15-5-6-15/h2-4,7-10,12-13,15H,5-6,11,14H2,1H3,(H,24,29)(H,25,26)
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PC cid
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Similars

Article
PubMed
n/an/a 280n/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