Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 1' and Ligand = 'BDBM316078'   

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))	BDBM316078 (US9616064, Compound 13l) Show SMILES CC1CN(c2ccccc12)c1ccnc(N)n1 Show InChI InChI=1S/C13H14N4/c1-9-8-17(11-5-3-2-4-10(9)11)12-6-7-15-13(14)16-12/h2-7,9H,8H2,1H3,(H2,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. US Patent					Assay Description The inventors undertook a screen of the NCI Diversity set using a Z-lyte FRET assay (Kang et al. (2009); Wu et al. (2010)) to measure kinase inhibiti...				US Patent US9616064 (2017) BindingDB Entry DOI: 10.7270/Q2KD2106
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