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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 = 'BDBM50358704'   
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))
BDBM50358704
PNG
(CHEMBL1922040)
Show SMILES COc1cccc(CN(CC[N+]2(C)CCCC2)C(=O)c2cc3ccc(nc3n2C)-c2cn[nH]c2)c1
Show InChI InChI=1S/C27H32N6O2/c1-31-25(16-21-9-10-24(30-26(21)31)22-17-28-29-18-22)27(34)32(11-14-33(2)12-4-5-13-33)19-20-7-6-8-23(15-20)35-3/h6-10,15-18H,4-5,11-14,19H2,1-3H3/p+1
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Similars

Article
PubMed
n/an/a 6.60E+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