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SMILES: COc1cccc(CNC(=O)c2[nH]c3cc(ccc3c2CN2CCCNCC2)-c2cn[nH]c2)c1

InChI Key: InChIKey=XQRURWYFVKRWAH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50358689   
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 1


(Homo sapiens (Human))		BDBM50358689
PNG
(CHEMBL1922141)
Show SMILES COc1cccc(CNC(=O)c2[nH]c3cc(ccc3c2CN2CCCNCC2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C26H30N6O2/c1-34-21-5-2-4-18(12-21)14-28-26(33)25-23(17-32-10-3-8-27-9-11-32)22-7-6-19(13-24(22)31-25)20-15-29-30-16-20/h2,4-7,12-13,15-16,27,31H,3,8-11,14,17H2,1H3,(H,28,33)(H,29,30)
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n/an/a 8n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1

Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
BindingDB Entry DOI: 10.7270/Q2F1905N
More data for this
Ligand-Target Pair