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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 = 'BDBM50324587'   
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))
BDBM50324587
PNG
((S)-N-(2-(2-(Dimethylamino)ethoxy)-4-(1H-pyrazol-4...)
Show SMILES CN(C)CCOc1cc(ccc1NC(=O)[C@@H]1Cc2cc(Cl)ccc2CN1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C23H26ClN5O2/c1-29(2)7-8-31-22-11-15(18-13-26-27-14-18)4-6-20(22)28-23(30)21-10-17-9-19(24)5-3-16(17)12-25-21/h3-6,9,11,13-14,21,25H,7-8,10,12H2,1-2H3,(H,26,27)(H,28,30)/t21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 23n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


J Med Chem 53: 5727-37 (2010)


Article DOI: 10.1021/jm100579r
BindingDB Entry DOI: 10.7270/Q2833S8C
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50324587
PNG
((S)-N-(2-(2-(Dimethylamino)ethoxy)-4-(1H-pyrazol-4...)
Show SMILES CN(C)CCOc1cc(ccc1NC(=O)[C@@H]1Cc2cc(Cl)ccc2CN1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C23H26ClN5O2/c1-29(2)7-8-31-22-11-15(18-13-26-27-14-18)4-6-20(22)28-23(30)21-10-17-9-19(24)5-3-16(17)12-25-21/h3-6,9,11,13-14,21,25H,7-8,10,12H2,1-2H3,(H,26,27)(H,28,30)/t21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 85n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


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


J Med Chem 53: 5727-37 (2010)


Article DOI: 10.1021/jm100579r
BindingDB Entry DOI: 10.7270/Q2833S8C
More data for this
Ligand-Target Pair