Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' and Ligand = 'BDBM169515'   

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))	BDBM169515 (US9079880, 48) Show SMILES CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3sc(nc3C)-c3ccncc3)sc2C1 |r| Show InChI InChI=1S/C30H32N6O2S2/c1-18-26(40-28(32-18)19-11-13-31-14-12-19)29(38)36-15-5-8-24(36)20-6-4-7-21(16-20)27(37)34-30-33-23-10-9-22(35(2)3)17-25(23)39-30/h4,6-7,11-14,16,22,24H,5,8-10,15,17H2,1-3H3,(H,33,34,37)/t22-,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	2.80	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The activity of ROCKII (1-543) kinase was measured utilizing Cambrex PKLight ATP Detection Reagent, a homogeneous assay technology using luciferin-lu...				US Patent US9079880 (2015) BindingDB Entry DOI: 10.7270/Q25X27QJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM169515 (US9079880, 48) Show SMILES CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3sc(nc3C)-c3ccncc3)sc2C1 |r| Show InChI InChI=1S/C30H32N6O2S2/c1-18-26(40-28(32-18)19-11-13-31-14-12-19)29(38)36-15-5-8-24(36)20-6-4-7-21(16-20)27(37)34-30-33-23-10-9-22(35(2)3)17-25(23)39-30/h4,6-7,11-14,16,22,24H,5,8-10,15,17H2,1-3H3,(H,33,34,37)/t22-,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	10	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
					More data for this Ligand-Target Pair