BDBM114643 1-[2-(dimethylamino)ethylamino]-4-(hydroxymethyl)-7-oxidanyl-thioxanthen-9-one::1-[2-(dimethylamino)ethylamino]-7-hydroxy-4-(hydroxymethyl)-9-thioxanthenone::1-[2-(dimethylamino)ethylamino]-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one::1-[2-(dimethylamino)ethylamino]-7-hydroxy-4-methylol-thioxanthen-9-one::9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-7-hydroxy-4-(hydroxymethyl)-::MLS002702881::SMR001566699::cid_333459

SMILES: CN(C)CCNc1ccc(CO)c2sc3ccc(O)cc3c(=O)c12

InChI Key: InChIKey=YDQFGJFCLNZQJY-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 = 114643   

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
Methyl-CpG binding domain protein 2 (Homo sapiens (Human))	BDBM114643 (1-[2-(dimethylamino)ethylamino]-4-(hydroxymethyl)-...) Show SMILES CN(C)CCNc1ccc(CO)c2sc3ccc(O)cc3c(=O)c12 Show InChI InChI=1S/C18H20N2O3S/c1-20(2)8-7-19-14-5-3-11(10-21)18-16(14)17(23)13-9-12(22)4-6-15(13)24-18/h3-6,9,19,21-22H,7-8,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q20K2778
					More data for this Ligand-Target Pair