Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 1' and Ligand = 'BDBM50161159'   

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))	BDBM50161159 (CHEMBL3793353) Show SMILES [H][C@@]1(CC[C@@H](CC1)C(=O)Nc1ccnc2[nH]ccc12)[C@@H](C)N |r,wU:4.7,1.0,wD:19.23,(-1.43,8.98,;-2.33,8.49,;-3.67,7.73,;-3.68,6.19,;-2.35,5.41,;-1.01,6.17,;-1,7.71,;-2.35,3.87,;-3.42,3.26,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;-3.66,9.23,;-3.65,10.46,;-4.73,8.62,)| Show InChI InChI=1S/C18H18ClN3S/c1-22-8-7-12-9-14(19)16-17(21-18(23)20-16)15(12)13(10-22)11-5-3-2-4-6-11/h2-6,9,13H,7-8,10H2,1H3,(H2,20,21,23)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Nirma University Curated by ChEMBL					Assay Description Inhibition of ROCK-1 (unknown origin)				Bioorg Med Chem Lett 26: 2383-91 (2016) Article DOI: 10.1016/j.bmcl.2016.03.113 BindingDB Entry DOI: 10.7270/Q2KK9DP3
					More data for this Ligand-Target Pair