Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 1' and Ligand = 'BDBM50358719'   

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))	BDBM50358719 (CHEMBL1922137) Show SMILES COc1cccc(CNC(=O)c2cn(CCN3CCCC3)c3nc(ccc23)-c2cn[nH]c2)c1 Show InChI InChI=1S/C25H28N6O2/c1-33-20-6-4-5-18(13-20)14-26-25(32)22-17-31(12-11-30-9-2-3-10-30)24-21(22)7-8-23(29-24)19-15-27-28-16-19/h4-8,13,15-17H,2-3,9-12,14H2,1H3,(H,26,32)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/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
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