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

InChI Key: InChIKey=ZSSXFZUQZVZFTR-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50308890   
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))		BDBM50308890
PNG
(3-[2-(3,4-Dimethoxy-phenyl)-acetylamino]-N-(2-pipe...)
Show SMILES COc1ccc(CC(=O)Nc2cccc(c2)C(=O)NCCC2CCCNC2)cc1OC
Show InChI InChI=1S/C24H31N3O4/c1-30-21-9-8-18(13-22(21)31-2)14-23(28)27-20-7-3-6-19(15-20)24(29)26-12-10-17-5-4-11-25-16-17/h3,6-9,13,15,17,25H,4-5,10-12,14,16H2,1-2H3,(H,26,29)(H,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20E+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