Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 1' and Ligand = 'BDBM50311953'   

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))	BDBM50311953 (4-(4-methyl-1H-indol-5-ylamino)-5-(3-(4-methylpipe...) Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1 Show InChI InChI=1S/C28H28N6O2S/c1-20-25-10-11-31-27(25)9-8-26(20)32-28-22(18-30-19-23(28)17-29)7-6-21-4-3-5-24(16-21)37(35,36)34-14-12-33(2)13-15-34/h3-11,16,18-19,31H,12-15H2,1-2H3,(H,30,32)/b7-6+	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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of ROCK1				Bioorg Med Chem Lett 19: 6575-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.031 BindingDB Entry DOI: 10.7270/Q2KD1Z1F
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