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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 = 'BDBM50431130'   
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))
BDBM50431130
PNG
(CHEMBL2332063)
Show SMILES COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(cn2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C21H26N6O2/c1-26(2)9-10-27(15-16-5-4-6-19(11-16)29-3)21(28)25-20-8-7-17(12-22-20)18-13-23-24-14-18/h4-8,11-14H,9-10,15H2,1-3H3,(H,23,24)(H,22,25,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) after 4 hrs by HTRF assay


J Med Chem 56: 3568-81 (2013)


Article DOI: 10.1021/jm400062r
BindingDB Entry DOI: 10.7270/Q28C9XMJ
More data for this
Ligand-Target Pair