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SMILES: COc1ccc(NC(=O)Cc2cccc(NC(=O)CCC3CCCNC3)c2)cc1OC

InChI Key: InChIKey=IWHUGDMSMDVZOY-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50308896   
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))		BDBM50308896
PNG
(CHEMBL605401 | N-{3-[(3,4-Dimethoxy-phenylcarbamoy...)
Show SMILES COc1ccc(NC(=O)Cc2cccc(NC(=O)CCC3CCCNC3)c2)cc1OC
Show InChI InChI=1S/C24H31N3O4/c1-30-21-10-9-20(15-22(21)31-2)27-24(29)14-18-5-3-7-19(13-18)26-23(28)11-8-17-6-4-12-25-16-17/h3,5,7,9-10,13,15,17,25H,4,6,8,11-12,14,16H2,1-2H3,(H,26,28)(H,27,29)
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KEGG

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PC cid
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PubMed
n/an/a 3.70E+4n/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