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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 = 'BDBM50506930'   
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))
BDBM50506930
PNG
(CHEMBL4585481)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1NCCCCN)-c1ccncn1 |r|
Show InChI InChI=1S/C24H29N5O2/c1-17(18-6-5-7-20(14-18)31-2)29-24(30)21-9-8-19(22-10-13-26-16-28-22)15-23(21)27-12-4-3-11-25/h5-10,13-17,27H,3-4,11-12,25H2,1-2H3,(H,29,30)/t17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 990n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged catalytic ROCK1 expressed in baculovirus system using STK S2 peptide substrate and and 33P-ATP after 60 mins by HTRF a...


J Med Chem 61: 11074-11100 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01098
BindingDB Entry DOI: 10.7270/Q2RB77XJ
More data for this
Ligand-Target Pair