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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 = 'BDBM50308856'   
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))
BDBM50308856
PNG
(3-[3-(3-Amido-phenyl)-ureidomethyl]-N-(4-dimethyla...)
Show SMILES CN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)Nc3cccc(c3)C(N)=O)c2)cc1
Show InChI InChI=1S/C25H27N5O3/c1-30(2)16-17-9-11-21(12-10-17)28-24(32)20-7-3-5-18(13-20)15-27-25(33)29-22-8-4-6-19(14-22)23(26)31/h3-14H,15-16H2,1-2H3,(H2,26,31)(H,28,32)(H2,27,29,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 2.40E+5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ROCK2 by IMAP assay


J Med Chem 53: 759-77 (2010)


Article DOI: 10.1021/jm9014263
BindingDB Entry DOI: 10.7270/Q2V125RD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50308856
PNG
(3-[3-(3-Amido-phenyl)-ureidomethyl]-N-(4-dimethyla...)
Show SMILES CN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)Nc3cccc(c3)C(N)=O)c2)cc1
Show InChI InChI=1S/C25H27N5O3/c1-30(2)16-17-9-11-21(12-10-17)28-24(32)20-7-3-5-18(13-20)15-27-25(33)29-22-8-4-6-19(14-22)23(26)31/h3-14H,15-16H2,1-2H3,(H2,26,31)(H,28,32)(H2,27,29,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 2.40E+5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ROCK2 by homogenous luciferase assay


J Med Chem 53: 759-77 (2010)


Article DOI: 10.1021/jm9014263
BindingDB Entry DOI: 10.7270/Q2V125RD
More data for this
Ligand-Target Pair