BDBM50495480 CHEMBL3109079

SMILES: OC(=O)[C@@H]1[C@H](Cc2c[nH]c3ccccc23)CCN1Sc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O

InChI Key: InChIKey=JORYDAJGXUCPKD-BUXKBTBVSA-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 = 50495480   

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
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50495480 (CHEMBL3109079) Show SMILES OC(=O)[C@@H]1[C@H](Cc2c[nH]c3ccccc23)CCN1Sc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |r| Show InChI InChI=1S/C20H18N4O6S/c25-20(26)19-12(9-13-11-21-16-4-2-1-3-15(13)16)7-8-22(19)31-18-6-5-14(23(27)28)10-17(18)24(29)30/h1-6,10-12,19,21H,7-9H2,(H,25,26)/t12-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Pierre et Marie Curie-Paris 6 Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT1 expressed in H19 cells assessed as inhibition of tritiated methyl incorporation from [3H]-labeled AdoMet into h...				J Med Chem 57: 421-34 (2014) Article DOI: 10.1021/jm401419p BindingDB Entry DOI: 10.7270/Q2QN69Q3
					More data for this Ligand-Target Pair