Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' and Ligand = 'BDBM169561'   

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))	BDBM169561 (US9079880, 94) Show SMILES CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3csc(n3)-c3ccncc3)sc2C1 |r| Show InChI InChI=1S/C29H30N6O2S2/c1-34(2)21-8-9-22-25(16-21)39-29(32-22)33-26(36)20-6-3-5-19(15-20)24-7-4-14-35(24)28(37)23-17-38-27(31-23)18-10-12-30-13-11-18/h3,5-6,10-13,15,17,21,24H,4,7-9,14,16H2,1-2H3,(H,32,33,36)/t21-,24+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	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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