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SMILES: COc1ccc(NC(=O)NCc2cccc(c2)C(=O)NCCC2CCCNC2)cc1OC

InChI Key: InChIKey=GXMYSRARUAZJAH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50308882   
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))		BDBM50308882
PNG
(3-[3-(3,4-Dimethoxy-phenyl)-ureidomethyl]-N-(2-pip...)
Show SMILES COc1ccc(NC(=O)NCc2cccc(c2)C(=O)NCCC2CCCNC2)cc1OC
Show InChI InChI=1S/C24H32N4O4/c1-31-21-9-8-20(14-22(21)32-2)28-24(30)27-16-18-5-3-7-19(13-18)23(29)26-12-10-17-6-4-11-25-15-17/h3,5,7-9,13-14,17,25H,4,6,10-12,15-16H2,1-2H3,(H,26,29)(H2,27,28,30)
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KEGG

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PubMed
n/an/a 1.60E+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