Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 1' and Ligand = 'BDBM50541271'   

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))	BDBM50541271 (CHEMBL4639886) Show SMILES COc1cccc(Cn2ccc3cc(ccc3c2=O)-c2ccc3[nH]ncc3c2)c1 Show InChI InChI=1S/C24H19N3O2/c1-29-21-4-2-3-16(11-21)15-27-10-9-19-12-17(5-7-22(19)24(27)28)18-6-8-23-20(13-18)14-25-26-23/h2-14H,15H2,1H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of recombinant human ROCK1 (17 to 535 residues) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate incubated for 40 mins in presence of [...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126966 BindingDB Entry DOI: 10.7270/Q2N58QX2
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