BDBM50455085 CHEMBL4217817

SMILES: COc1ccc(nn1)C(N)=O

InChI Key: InChIKey=KODYPTCQENPEIC-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50455085   

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
Nicotinamide N-methyltransferase (NNMT) (Homo sapiens (Human))	BDBM50455085 (CHEMBL4217817) Show SMILES COc1ccc(nn1)C(N)=O Show InChI InChI=1S/C6H7N3O2/c1-11-5-3-2-4(6(7)10)8-9-5/h2-3H,1H3,(H2,7,10)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human NNMT at 30 uM preincubated for 30 mins followed by nicotinamide substrate and SAM addition measured after 60 mins by fluorescence...				Bioorg Med Chem Lett 28: 922-925 (2018) Article DOI: 10.1016/j.bmcl.2018.01.058 BindingDB Entry DOI: 10.7270/Q22Z184C
					More data for this Ligand-Target Pair