Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 1' and Ligand = 'BDBM50044005'   

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))	BDBM50044005 (CHEMBL3356432) Show SMILES CN(C)CCC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1 Show InChI InChI=1S/C26H35N7O3/c1-18-16-27-22-21(18)23(29-17-28-22)33-13-10-26(11-14-33,9-12-31(2)3)24(34)30-19-7-6-8-20(15-19)36-25(35)32(4)5/h6-8,15-17H,9-14H2,1-5H3,(H,30,34)(H,27,28,29)	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	139	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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