Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 1' and Ligand = 'BDBM50431124'   

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))	BDBM50431124 (CHEMBL2332073) Show SMILES COc1cccc(CN(CCN2CCCCC2)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C25H31N5O2/c1-32-24-7-5-6-20(16-24)19-30(15-14-29-12-3-2-4-13-29)25(31)28-23-10-8-21(9-11-23)22-17-26-27-18-22/h5-11,16-18H,2-4,12-15,19H2,1H3,(H,26,27)(H,28,31)	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	14	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of ROCK1 (unknown origin) after 4 hrs by HTRF assay				J Med Chem 56: 3568-81 (2013) Article DOI: 10.1021/jm400062r BindingDB Entry DOI: 10.7270/Q28C9XMJ
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