Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 1' and Ligand = 'BDBM50306087'   

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))	BDBM50306087 ((S)-4-(5-(2-amino-3-phenylpropoxy)-3-(3-methyl-1H-...) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1ccc(O)cc1 |r| Show InChI InChI=1S/C28H26N4O2/c1-18-25-14-21(9-12-27(25)32-31-18)26-15-24(16-30-28(26)20-7-10-23(33)11-8-20)34-17-22(29)13-19-5-3-2-4-6-19/h2-12,14-16,22,33H,13,17,29H2,1H3,(H,31,32)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of ROCK1				Bioorg Med Chem Lett 20: 673-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.064 BindingDB Entry DOI: 10.7270/Q2D21XQ0
					More data for this Ligand-Target Pair