Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' and Ligand = 'BDBM141004'   

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))	BDBM141004 (US10570123, Example 209 | US8916576, 209) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCN(C)CC3)c(OC)cc2n1 Show InChI InChI=1S/C33H38N8O3/c1-4-6-31(42)35-24-8-5-7-22(17-24)32-37-28-20-29(43-3)30(44-16-15-41-13-11-40(2)12-14-41)19-26(28)33(38-32)36-25-9-10-27-23(18-25)21-34-39-27/h5,7-10,17-21H,4,6,11-16H2,1-3H3,(H,34,39)(H,35,42)(H,36,37,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Surface Logix, Inc. US Patent					Assay Description ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).				US Patent US8916576 (2014) BindingDB Entry DOI: 10.7270/Q2P55M6K
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM141004 (US10570123, Example 209 | US8916576, 209) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCN(C)CC3)c(OC)cc2n1 Show InChI InChI=1S/C33H38N8O3/c1-4-6-31(42)35-24-8-5-7-22(17-24)32-37-28-20-29(43-3)30(44-16-15-41-13-11-40(2)12-14-41)19-26(28)33(38-32)36-25-9-10-27-23(18-25)21-34-39-27/h5,7-10,17-21H,4,6,11-16H2,1-3H3,(H,34,39)(H,35,42)(H,36,37,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
SURFACE LOGIX, LLC US Patent					Assay Description ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).				US Patent US10570123 (2020) BindingDB Entry DOI: 10.7270/Q2542R1V
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM141004 (US10570123, Example 209 | US8916576, 209) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCN(C)CC3)c(OC)cc2n1 Show InChI InChI=1S/C33H38N8O3/c1-4-6-31(42)35-24-8-5-7-22(17-24)32-37-28-20-29(43-3)30(44-16-15-41-13-11-40(2)12-14-41)19-26(28)33(38-32)36-25-9-10-27-23(18-25)21-34-39-27/h5,7-10,17-21H,4,6,11-16H2,1-3H3,(H,34,39)(H,35,42)(H,36,37,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
SURFACE LOGIX, LLC US Patent					Assay Description ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).				US Patent US10570123 (2020) BindingDB Entry DOI: 10.7270/Q2542R1V
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM141004 (US10570123, Example 209 | US8916576, 209) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCN(C)CC3)c(OC)cc2n1 Show InChI InChI=1S/C33H38N8O3/c1-4-6-31(42)35-24-8-5-7-22(17-24)32-37-28-20-29(43-3)30(44-16-15-41-13-11-40(2)12-14-41)19-26(28)33(38-32)36-25-9-10-27-23(18-25)21-34-39-27/h5,7-10,17-21H,4,6,11-16H2,1-3H3,(H,34,39)(H,35,42)(H,36,37,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Surface Logix, Inc. US Patent					Assay Description ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).				US Patent US8916576 (2014) BindingDB Entry DOI: 10.7270/Q2P55M6K
					More data for this Ligand-Target Pair