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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 = 'BDBM50324594'   
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))
BDBM50324594
PNG
((R)-N-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-3-(3-flu...)
Show SMILES N[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C18H17FN4O/c19-15-3-1-2-12(8-15)9-17(20)18(24)23-16-6-4-13(5-7-16)14-10-21-22-11-14/h1-8,10-11,17H,9,20H2,(H,21,22)(H,23,24)/t17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 12n/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))
BDBM50324594
PNG
((R)-N-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-3-(3-flu...)
Show SMILES N[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C18H17FN4O/c19-15-3-1-2-12(8-15)9-17(20)18(24)23-16-6-4-13(5-7-16)14-10-21-22-11-14/h1-8,10-11,17H,9,20H2,(H,21,22)(H,23,24)/t17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 713n/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