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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' and Ligand = 'BDBM50004423'   
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))
BDBM50004423
PNG
(CHEMBL3238168)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(n1)N1CCCNCC1
Show InChI InChI=1S/C17H20N6/c1-12-14-9-13(3-4-15(14)22-21-12)16-10-19-11-17(20-16)23-7-2-5-18-6-8-23/h3-4,9-11,18H,2,5-8H2,1H3,(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-2 (unknown origin) after 60 mins by IMAP assay


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50004423
PNG
(CHEMBL3238168)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(n1)N1CCCNCC1
Show InChI InChI=1S/C17H20N6/c1-12-14-9-13(3-4-15(14)22-21-12)16-10-19-11-17(20-16)23-7-2-5-18-6-8-23/h3-4,9-11,18H,2,5-8H2,1H3,(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 380n/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK-2 in human GTM3 cells measured up to 2 days by cell impedance assay


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
More data for this
Ligand-Target Pair