Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 1' and Ligand = 'BDBM140991'   

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 1 (Homo sapiens (Human))	BDBM140991 (US10570123, Example 55 | US8916576, 55) Show SMILES O=C(COc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1)Nc1cccnc1 Show InChI InChI=1S/C28H21N7O2/c36-26(31-21-6-4-12-29-16-21)17-37-22-7-3-5-18(14-22)27-33-25-9-2-1-8-23(25)28(34-27)32-20-10-11-24-19(13-20)15-30-35-24/h1-16H,17H2,(H,30,35)(H,31,36)(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	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 1 (Homo sapiens (Human))	BDBM140991 (US10570123, Example 55 | US8916576, 55) Show SMILES O=C(COc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1)Nc1cccnc1 Show InChI InChI=1S/C28H21N7O2/c36-26(31-21-6-4-12-29-16-21)17-37-22-7-3-5-18(14-22)27-33-25-9-2-1-8-23(25)28(34-27)32-20-10-11-24-19(13-20)15-30-35-24/h1-16H,17H2,(H,30,35)(H,31,36)(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	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