Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' and Ligand = 'BDBM169571'   

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))	BDBM169571 (US9079880, 104) Show SMILES CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3cn4cc(ccc4n3)C(N)=O)sc2C1 |r| Show InChI InChI=1S/C29H31N7O3S/c1-34(2)20-9-10-21-24(14-20)40-29(32-21)33-27(38)18-6-3-5-17(13-18)23-7-4-12-36(23)28(39)22-16-35-15-19(26(30)37)8-11-25(35)31-22/h3,5-6,8,11,13,15-16,20,23H,4,7,9-10,12,14H2,1-2H3,(H2,30,37)(H,32,33,38)/t20-,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.70	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 US9079880 (2015) BindingDB Entry DOI: 10.7270/Q25X27QJ
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