Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 1' and Ligand = 'BDBM50044006'   

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))	BDBM50044006 (CHEMBL3356431) Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(Cc3c[nH]cn3)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1 Show InChI InChI=1S/C26H30N8O3/c1-17-13-28-22-21(17)23(31-16-30-22)34-9-7-26(8-10-34,12-19-14-27-15-29-19)24(35)32-18-5-4-6-20(11-18)37-25(36)33(2)3/h4-6,11,13-16H,7-10,12H2,1-3H3,(H,27,29)(H,32,35)(H,28,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	514	n/a	n/a	n/a	n/a	n/a	n/a
Lexicon Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human Rock1 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysis in presenc...				ACS Med Chem Lett 6: 84-8 (2015) Article DOI: 10.1021/ml500367g BindingDB Entry DOI: 10.7270/Q218384X
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