BDBM5471 6-ethoxy-9H-purin-2-amine::CHEMBL406419::O6-Substituted Guanine Deriv. 2

SMILES: CCOc1nc(N)nc2nc[nH]c12

InChI Key: InChIKey=SFXXRVSPZSOREJ-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 12 PDB IDs contain this monomer as substructures. 12 PDB IDs contain 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 3 hits for monomerid = 5471   

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 1 (CDK1) (Marthasterias glacialis (starfish))	BDBM5471 (6-ethoxy-9H-purin-2-amine | CHEMBL406419 | O6-Subs...) Show SMILES CCOc1nc(N)nc2nc[nH]c12 Show InChI InChI=1S/C7H9N5O/c1-2-13-6-4-5(10-3-9-4)11-7(8)12-6/h3H,2H2,1H3,(H3,8,9,10,11,12)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
6-O-methylguanine-DNA methyltransferase (Homo sapiens (Human))	BDBM5471 (6-ethoxy-9H-purin-2-amine | CHEMBL406419 | O6-Subs...) Show SMILES CCOc1nc(N)nc2nc[nH]c12 Show InChI InChI=1S/C7H9N5O/c1-2-13-6-4-5(10-3-9-4)11-7(8)12-6/h3H,2H2,1H3,(H3,8,9,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
The University Curated by ChEMBL					Assay Description Inhibition of AGT activity to 50% of control rate in HT-29 cell extract				J Med Chem 43: 4071-83 (2000) BindingDB Entry DOI: 10.7270/Q2RF5T8B
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM5471 (6-ethoxy-9H-purin-2-amine | CHEMBL406419 | O6-Subs...) Show SMILES CCOc1nc(N)nc2nc[nH]c12 Show InChI InChI=1S/C7H9N5O/c1-2-13-6-4-5(10-3-9-4)11-7(8)12-6/h3H,2H2,1H3,(H3,8,9,10,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair