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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 = 'BDBM50246461'   
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))
BDBM50246461
PNG
(4-(7-fluoro-2-(6-methoxy-3,4-dihydro-2H-chromen-3-...)
Show SMILES COc1ccc2OCC(Cc2c1)c1nc2cc(cc(F)c2[nH]1)-c1ccnc(N)n1
Show InChI InChI=1S/C21H18FN5O2/c1-28-14-2-3-18-12(7-14)6-13(10-29-18)20-25-17-9-11(8-15(22)19(17)27-20)16-4-5-24-21(23)26-16/h2-5,7-9,13H,6,10H2,1H3,(H,25,27)(H2,23,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a<1n/an/an/an/an/an/a



The Scripps Research Institute Florida

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin)


Bioorg Med Chem Lett 18: 6390-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50246461
PNG
(4-(7-fluoro-2-(6-methoxy-3,4-dihydro-2H-chromen-3-...)
Show SMILES COc1ccc2OCC(Cc2c1)c1nc2cc(cc(F)c2[nH]1)-c1ccnc(N)n1
Show InChI InChI=1S/C21H18FN5O2/c1-28-14-2-3-18-12(7-14)6-13(10-29-18)20-25-17-9-11(8-15(22)19(17)27-20)16-4-5-24-21(23)26-16/h2-5,7-9,13H,6,10H2,1H3,(H,25,27)(H2,23,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a<6n/an/an/an/an/an/a



The Scripps Research Institute Florida

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay


Bioorg Med Chem Lett 18: 6390-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6
More data for this
Ligand-Target Pair