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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50308869   
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))
BDBM50308869
PNG
(CHEMBL589827 | N-[3-(4-Dimethylaminomethyl-phenylc...)
Show SMILES COc1ccc(cc1)C(=O)NCc1cccc(c1)C(=O)Nc1ccc(CN(C)C)cc1
Show InChI InChI=1S/C25H27N3O3/c1-28(2)17-18-7-11-22(12-8-18)27-25(30)21-6-4-5-19(15-21)16-26-24(29)20-9-13-23(31-3)14-10-20/h4-15H,16-17H2,1-3H3,(H,26,29)(H,27,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a>6.50E+3n/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))
BDBM50308869
PNG
(CHEMBL589827 | N-[3-(4-Dimethylaminomethyl-phenylc...)
Show SMILES COc1ccc(cc1)C(=O)NCc1cccc(c1)C(=O)Nc1ccc(CN(C)C)cc1
Show InChI InChI=1S/C25H27N3O3/c1-28(2)17-18-7-11-22(12-8-18)27-25(30)21-6-4-5-19(15-21)16-26-24(29)20-9-13-23(31-3)14-10-20/h4-15H,16-17H2,1-3H3,(H,26,29)(H,27,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.30E+6n/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