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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 = 'BDBM50087131'   
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))
BDBM50087131
PNG
(CHEMBL3426624)
Show SMILES COC(=O)c1ccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)cc1
Show InChI InChI=1S/C28H23FN4O4/c1-37-28(36)17-7-9-22(10-8-17)32-26(34)19-4-2-3-18(13-19)23-14-20(5-6-21(23)15-30)27(35)33-25-11-12-31-16-24(25)29/h2-14,16H,15,30H2,1H3,(H,32,34)(H,31,33,35)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<1n/an/an/an/an/an/a



Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK1 expressed in insect cells using long S6 kinase peptide as substrate by radiometric assay in presence ...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair