BDBM50206868 CHEMBL1424505

SMILES: CC(N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccc(Br)cc1C(O)=O)c1ccccc1

InChI Key: InChIKey=WBQXQPVNRFHHAS-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 = 50206868   

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
DNMT3A2/3L complex (Homo sapiens (Human))	BDBM50206868 (CHEMBL1424505) Show SMILES CC(N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccc(Br)cc1C(O)=O)c1ccccc1 Show InChI InChI=1S/C24H17BrN2O5/c1-13(14-5-3-2-4-6-14)27-22(29)17-9-7-15(11-18(17)23(27)30)21(28)26-20-10-8-16(25)12-19(20)24(31)32/h2-13H,1H3,(H,26,28)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged DNMT3A (623 to 908 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) coexpressing DNMT3L (160 ...				Bioorg Med Chem Lett 27: 342-346 (2017) Article DOI: 10.1016/j.bmcl.2016.11.023 BindingDB Entry DOI: 10.7270/Q2N87CSS
					More data for this Ligand-Target Pair