null

SMILES: COC(=O)Nc1nc(N)nc(OCC2CCCCC2)c1N=O

InChI Key: InChIKey=PCHQRIWGWJCMKF-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 5577   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5577 (methyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosop...) Show SMILES COC(=O)Nc1nc(N)nc(OCC2CCCCC2)c1N=O Show InChI InChI=1S/C13H19N5O4/c1-21-13(19)16-10-9(18-20)11(17-12(14)15-10)22-7-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H3,14,15,16,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.5	30
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				Bioorg Med Chem Lett 13: 217-22 (2003) Article DOI: 10.1016/s0960-894x(02)00884-3 BindingDB Entry DOI: 10.7270/Q2W09433
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5577 (methyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosop...) Show SMILES COC(=O)Nc1nc(N)nc(OCC2CCCCC2)c1N=O Show InChI InChI=1S/C13H19N5O4/c1-21-13(19)16-10-9(18-20)11(17-12(14)15-10)22-7-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H3,14,15,16,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.5	30
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				Bioorg Med Chem Lett 13: 217-22 (2003) Article DOI: 10.1016/s0960-894x(02)00884-3 BindingDB Entry DOI: 10.7270/Q2W09433
					More data for this Ligand-Target Pair