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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' and Ligand = 'BDBM50087138'   
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 2


(Homo sapiens (Human))
BDBM50087138
PNG
(CHEMBL3426730)
Show SMILES CCCOC(=O)c1ccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)cc1
Show InChI InChI=1S/C30H27FN4O4/c1-2-14-39-30(38)19-8-10-24(11-9-19)34-28(36)21-5-3-4-20(15-21)25-16-22(6-7-23(25)17-32)29(37)35-27-12-13-33-18-26(27)31/h3-13,15-16,18H,2,14,17,32H2,1H3,(H,34,36)(H,33,35,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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 ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


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