Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' and Ligand = 'BDBM119953'   

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))	BDBM119953 (US8697911, 112) Show SMILES CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(s4)-c4ccncc4)c3)sc2C1 Show InChI InChI=1S/C25H23N5O2S2/c1-30-12-9-19-22(15-30)34-25(28-19)29-23(31)18-4-2-3-16(13-18)14-27-24(32)21-6-5-20(33-21)17-7-10-26-11-8-17/h2-8,10-11,13H,9,12,14-15H2,1H3,(H,27,32)(H,28,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.180	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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