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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 = 'BDBM50358706'   
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))
BDBM50358706
PNG
(CHEMBL1922042)
Show SMILES COc1cccc(CN(C)C(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H19N5O2/c1-25(12-13-4-3-5-16(8-13)27-2)20(26)18-9-14-6-7-17(23-19(14)24-18)15-10-21-22-11-15/h3-11H,12H2,1-2H3,(H,21,22)(H,23,24)
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 27n/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