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SMILES: COc1ccc(NC(=O)Nc2cccc(c2)C(=O)NCCC2CCCNC2)cc1OC

InChI Key: InChIKey=WFABZGIOZISUAJ-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50378682   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50378682
PNG
(CHEMBL1163034)
Show SMILES COc1ccc(NC(=O)Nc2cccc(c2)C(=O)NCCC2CCCNC2)cc1OC
Show InChI InChI=1S/C23H30N4O4/c1-30-20-9-8-19(14-21(20)31-2)27-23(29)26-18-7-3-6-17(13-18)22(28)25-12-10-16-5-4-11-24-15-16/h3,6-9,13-14,16,24H,4-5,10-12,15H2,1-2H3,(H,25,28)(H2,26,27,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>7.00E+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