Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 1' and Ligand = 'BDBM50253700'   

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))	BDBM50253700 (CHEMBL4065361) Show SMILES Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)C(N1CCCC1)c1ccccc1 Show InChI InChI=1S/C21H21N5OS/c1-13-15(12-22-25-13)17-11-16-19(28-17)21(27)24-20(23-16)18(26-9-5-6-10-26)14-7-3-2-4-8-14/h2-4,7-8,11-12,18H,5-6,9-10H2,1H3,(H,22,25)(H,23,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ROCK1 catalytic domain (1 to 477 residues) expressed in baculovirus expression system using Bio...				Bioorg Med Chem 25: 3658-3670 (2017) Article DOI: 10.1016/j.bmc.2017.04.044 BindingDB Entry DOI: 10.7270/Q26H4KTZ
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