BDBM50241519 CHEMBL4073481

SMILES: COc1cc(NS(=O)(=O)c2ccc3N(CCc3c2)C(C)=O)ccc1-n1nc(C)cc1C

InChI Key: InChIKey=VXEWXGDRFKSZJF-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

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 2 hits for monomerid = 50241519   

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
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50241519 (CHEMBL4073481) Show SMILES COc1cc(NS(=O)(=O)c2ccc3N(CCc3c2)C(C)=O)ccc1-n1nc(C)cc1C Show InChI InChI=1S/C22H24N4O4S/c1-14-11-15(2)26(23-14)21-7-5-18(13-22(21)30-4)24-31(28,29)19-6-8-20-17(12-19)9-10-25(20)16(3)27/h5-8,11-13,24H,9-10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Binding affinity to LSD1 (unknown origin) by SPR analysis				J Med Chem 60: 7984-7999 (2017) Article DOI: 10.1021/acs.jmedchem.7b00462 BindingDB Entry DOI: 10.7270/Q2M32XX8
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50241519 (CHEMBL4073481) Show SMILES COc1cc(NS(=O)(=O)c2ccc3N(CCc3c2)C(C)=O)ccc1-n1nc(C)cc1C Show InChI InChI=1S/C22H24N4O4S/c1-14-11-15(2)26(23-14)21-7-5-18(13-22(21)30-4)24-31(28,29)19-6-8-20-17(12-19)9-10-25(20)16(3)27/h5-8,11-13,24H,9-10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of N-terminal truncated human LSD1 (151 to 852 residues) expressed in Escherichia coli after 30 mins using histone H3(1-21)K4(Me1) biotin ...				J Med Chem 60: 7984-7999 (2017) Article DOI: 10.1021/acs.jmedchem.7b00462 BindingDB Entry DOI: 10.7270/Q2M32XX8
					More data for this Ligand-Target Pair