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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 = 'BDBM50358692'   
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))
BDBM50358692
PNG
(CHEMBL1922031)
Show SMILES COc1cccc(CN(C)C(=O)c2cc3ccc(cc3n2CCN(C)C)-c2cn[nH]c2)c1
Show InChI InChI=1S/C25H29N5O2/c1-28(2)10-11-30-23-13-19(21-15-26-27-16-21)8-9-20(23)14-24(30)25(31)29(3)17-18-6-5-7-22(12-18)32-4/h5-9,12-16H,10-11,17H2,1-4H3,(H,26,27)
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MMDB

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PC cid
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Similars

Article
PubMed
n/an/a 6.90E+3n/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