BDBM50110807 CHEMBL3605935

SMILES: CCSCC(C(=O)c1ccc(Cl)cc1)n1cnc2ccccc12

InChI Key: InChIKey=NPIDLCLCPCJDAM-UHFFFAOYSA-N

Data: 1 EC50

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 = 50110807   

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))	BDBM50110807 (CHEMBL3605935) Show SMILES CCSCC(C(=O)c1ccc(Cl)cc1)n1cnc2ccccc12 Show InChI InChI=1S/C18H17ClN2OS/c1-2-23-11-17(18(22)13-7-9-14(19)10-8-13)21-12-20-15-5-3-4-6-16(15)21/h3-10,12,17H,2,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
Unit£ de Service et de Recherche CNRS-Pierre Fabre n£3388 Curated by ChEMBL					Assay Description Inhibition of human C-terminal DNMT3A after 1 hr by fluorescence assay				Bioorg Med Chem 23: 5946-53 (2015) BindingDB Entry DOI: 10.7270/Q2P270X8
					More data for this Ligand-Target Pair