Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' and Ligand = 'BDBM119958'   

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 2 (Homo sapiens (Human))	BDBM119958 (US8697911, 120) Show SMILES CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(s4)-c4cn[nH]c4)c3)sc2C1 Show InChI InChI=1S/C23H22N6O2S2/c1-29-8-7-17-20(13-29)33-23(27-17)28-21(30)15-4-2-3-14(9-15)10-24-22(31)19-6-5-18(32-19)16-11-25-26-12-16/h2-6,9,11-12H,7-8,10,13H2,1H3,(H,24,31)(H,25,26)(H,27,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.770	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
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