BindingDB logo
myBDB logout

null

SMILES: COc1cccc(CN(C2CC2)C(=O)c2nc3ccc(cc3s2)-c2cn[nH]c2)c1

InChI Key: InChIKey=BZJZYTQQNKTXOA-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50311739   
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))		BDBM50311739
PNG
(CHEMBL1080286 | N-cyclopropyl-N-(3-methoxybenzyl)-...)
Show SMILES COc1cccc(CN(C2CC2)C(=O)c2nc3ccc(cc3s2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C22H20N4O2S/c1-28-18-4-2-3-14(9-18)13-26(17-6-7-17)22(27)21-25-19-8-5-15(10-20(19)29-21)16-11-23-24-12-16/h2-5,8-12,17H,6-7,13H2,1H3,(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 94n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2

Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
BindingDB Entry DOI: 10.7270/Q2VX0GN0
More data for this
Ligand-Target Pair