Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' and Ligand = 'BDBM169567'   

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))	BDBM169567 (US9079880, 100) Show SMILES CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3ccc4cc(O)ccc4c3)sc2C1 |r| Show InChI InChI=1S/C31H32N4O3S/c1-34(2)24-11-13-26-28(18-24)39-31(32-26)33-29(37)22-6-3-5-21(16-22)27-7-4-14-35(27)30(38)23-9-8-20-17-25(36)12-10-19(20)15-23/h3,5-6,8-10,12,15-17,24,27,36H,4,7,11,13-14,18H2,1-2H3,(H,32,33,37)/t24-,27+/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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