Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 1' and Ligand = 'BDBM50463491'   

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))	BDBM50463491 (CHEMBL4245197) Show SMILES CN1CCN(CCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1 Show InChI InChI=1S/C25H28N6O2S/c1-30-8-10-31(11-9-30)12-13-33-19-5-2-4-18(14-19)15-23(32)29-25-28-22(17-34-25)21-16-27-24-20(21)6-3-7-26-24/h2-7,14,16-17H,8-13,15H2,1H3,(H,26,27)(H,28,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...				Bioorg Med Chem Lett 28: 2622-2626 (2018) Article DOI: 10.1016/j.bmcl.2018.06.040 BindingDB Entry DOI: 10.7270/Q2ZC85HX
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50463491 (CHEMBL4245197) Show SMILES CN1CCN(CCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1 Show InChI InChI=1S/C25H28N6O2S/c1-30-8-10-31(11-9-30)12-13-33-19-5-2-4-18(14-19)15-23(32)29-25-28-22(17-34-25)21-16-27-24-20(21)6-3-7-26-24/h2-7,14,16-17H,8-13,15H2,1H3,(H,26,27)(H,28,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ROCK1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127721 BindingDB Entry DOI: 10.7270/Q2805665
					More data for this Ligand-Target Pair