BDBM5570 6-(3-methylbutoxy)-5-nitrosopyrimidine-2,4-diamine::pyrimidine deriv. 1d

SMILES: CC(C)CCOc1nc(N)nc(N)c1N=O

InChI Key: InChIKey=LCEKNRUNVMCCCT-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 5570   

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-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM5570 (6-(3-methylbutoxy)-5-nitrosopyrimidine-2,4-diamine...) Show SMILES CC(C)CCOc1nc(N)nc(N)c1N=O Show InChI InChI=1S/C9H15N5O2/c1-5(2)3-4-16-8-6(14-15)7(10)12-9(11)13-8/h5H,3-4H2,1-2H3,(H4,10,11,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	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 ...				J Med Chem 43: 2797-804 (2000) Article DOI: 10.1021/jm990628o BindingDB Entry DOI: 10.7270/Q20R9MKP
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-Dependent Kinase 1 (CDK1) (Marthasterias glacialis (starfish))	BDBM5570 (6-(3-methylbutoxy)-5-nitrosopyrimidine-2,4-diamine...) Show SMILES CC(C)CCOc1nc(N)nc(N)c1N=O Show InChI InChI=1S/C9H15N5O2/c1-5(2)3-4-16-8-6(14-15)7(10)12-9(11)13-8/h5H,3-4H2,1-2H3,(H4,10,11,12,13)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	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 ...				J Med Chem 43: 2797-804 (2000) Article DOI: 10.1021/jm990628o BindingDB Entry DOI: 10.7270/Q20R9MKP
					More data for this Ligand-Target Pair