Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 1' and Ligand = 'BDBM50004418'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50004418 (CHEMBL3238163) Show SMILES CN(C)CC(O)CN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1 Show InChI InChI=1S/C22H33N7O/c1-26(2)16-19(30)17-27-11-13-29(14-12-27)22-21(28-9-3-4-10-28)24-15-20(25-22)18-5-7-23-8-6-18/h5-8,15,19,30H,3-4,9-14,16-17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	288	n/a	n/a	n/a	n/a	n/a	n/a
Alcon Laboratories Inc Curated by ChEMBL					Assay Description Inhibition of truncated ROCK-1 (unknown origin)				Bioorg Med Chem Lett 24: 1875-9 (2014) Article DOI: 10.1016/j.bmcl.2014.03.017 BindingDB Entry DOI: 10.7270/Q21Z45X8
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