Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' and Ligand = 'BDBM141002'   

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))	BDBM141002 (US10570123, Example 206 | US8916576, 206) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCCC3=O)c(OC)cc2n1 Show InChI InChI=1S/C32H33N7O4/c1-3-6-29(40)34-22-8-4-7-20(15-22)31-36-26-18-27(42-2)28(43-14-13-39-12-5-9-30(39)41)17-24(26)32(37-31)35-23-10-11-25-21(16-23)19-33-38-25/h4,7-8,10-11,15-19H,3,5-6,9,12-14H2,1-2H3,(H,33,38)(H,34,40)(H,35,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	48	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))	BDBM141002 (US10570123, Example 206 | US8916576, 206) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCCC3=O)c(OC)cc2n1 Show InChI InChI=1S/C32H33N7O4/c1-3-6-29(40)34-22-8-4-7-20(15-22)31-36-26-18-27(42-2)28(43-14-13-39-12-5-9-30(39)41)17-24(26)32(37-31)35-23-10-11-25-21(16-23)19-33-38-25/h4,7-8,10-11,15-19H,3,5-6,9,12-14H2,1-2H3,(H,33,38)(H,34,40)(H,35,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	48	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))	BDBM141002 (US10570123, Example 206 | US8916576, 206) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCCC3=O)c(OC)cc2n1 Show InChI InChI=1S/C32H33N7O4/c1-3-6-29(40)34-22-8-4-7-20(15-22)31-36-26-18-27(42-2)28(43-14-13-39-12-5-9-30(39)41)17-24(26)32(37-31)35-23-10-11-25-21(16-23)19-33-38-25/h4,7-8,10-11,15-19H,3,5-6,9,12-14H2,1-2H3,(H,33,38)(H,34,40)(H,35,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	64	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))	BDBM141002 (US10570123, Example 206 | US8916576, 206) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCCC3=O)c(OC)cc2n1 Show InChI InChI=1S/C32H33N7O4/c1-3-6-29(40)34-22-8-4-7-20(15-22)31-36-26-18-27(42-2)28(43-14-13-39-12-5-9-30(39)41)17-24(26)32(37-31)35-23-10-11-25-21(16-23)19-33-38-25/h4,7-8,10-11,15-19H,3,5-6,9,12-14H2,1-2H3,(H,33,38)(H,34,40)(H,35,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	64	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