Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 1' and Ligand = 'BDBM25484'   

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))	BDBM25484 (4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-...) Show SMILES CC1=C(C(NC(=N1)c1cnccn1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1| Show InChI InChI=1S/C23H18FN7O/c1-13-20(23(32)29-17-6-7-18-15(10-17)11-27-31-18)21(14-2-4-16(24)5-3-14)30-22(28-13)19-12-25-8-9-26-19/h2-12,21H,1H3,(H,27,31)(H,28,30)(H,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...				J Med Chem 51: 6631-4 (2008) Article DOI: 10.1021/jm8005096 BindingDB Entry DOI: 10.7270/Q2F47MFZ
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