BDBM50389487 CHEMBL2063048

SMILES: O=C1NCNC(NCc2ccco2)=N1

InChI Key: InChIKey=BTIKIXQZBCJTQP-UHFFFAOYSA-N

Data: 1 KI  2 IC50

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 = 50389487   

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
M.SssI methyltransferase (Spiroplasma monobiae strain MQ-1)	BDBM50389487 (CHEMBL2063048) Show SMILES O=C1NCNC(NCc2ccco2)=N1 |c:13| Show InChI InChI=1S/C8H10N4O2/c13-8-11-5-10-7(12-8)9-4-6-2-1-3-14-6/h1-3H,4-5H2,(H3,9,10,11,12,13)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Polish Academy of Sciences Curated by ChEMBL					Assay Description Competitive inhibition of Spiroplasma sp. MQ1 SssI methyltransferase using pUC18 as substrate measured for 10 mins by Dixon plot analysis				Eur J Med Chem 55: 243-54 (2012) Article DOI: 10.1016/j.ejmech.2012.07.024 BindingDB Entry DOI: 10.7270/Q2GH9K11
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1) (Homo sapiens (Human))	BDBM50389487 (CHEMBL2063048) Show SMILES O=C1NCNC(NCc2ccco2)=N1 |c:13| Show InChI InChI=1S/C8H10N4O2/c13-8-11-5-10-7(12-8)9-4-6-2-1-3-14-6/h1-3H,4-5H2,(H3,9,10,11,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Polish Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of DNMT1 in human HeLa cell nuclear extract assessed as methylated substrate level by ELISA				Eur J Med Chem 55: 243-54 (2012) Article DOI: 10.1016/j.ejmech.2012.07.024 BindingDB Entry DOI: 10.7270/Q2GH9K11
					More data for this Ligand-Target Pair
M.SssI methyltransferase (Spiroplasma monobiae strain MQ-1)	BDBM50389487 (CHEMBL2063048) Show SMILES O=C1NCNC(NCc2ccco2)=N1 |c:13| Show InChI InChI=1S/C8H10N4O2/c13-8-11-5-10-7(12-8)9-4-6-2-1-3-14-6/h1-3H,4-5H2,(H3,9,10,11,12,13)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
Polish Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Spiroplasma sp. MQ1 SssI methyltransferase-mediated DNA cytosine methylation using pUC18 as substrate and [3H]CH3-SAM measured up to 10...				Eur J Med Chem 55: 243-54 (2012) Article DOI: 10.1016/j.ejmech.2012.07.024 BindingDB Entry DOI: 10.7270/Q2GH9K11
					More data for this Ligand-Target Pair