BDBM50445335 CHEMBL3104246::US9555024, 6

SMILES: COc1ccc(Cl)cc1C(=O)NNC(=O)c1cc(ccc1F)S(=O)(=O)N1CCOCC1

InChI Key: InChIKey=KSYNEVQBVXQRCY-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50445335   

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))	BDBM50445335 (CHEMBL3104246 | US9555024, 6) Show SMILES COc1ccc(Cl)cc1C(=O)NNC(=O)c1cc(ccc1F)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C19H19ClFN3O6S/c1-29-17-5-2-12(20)10-15(17)19(26)23-22-18(25)14-11-13(3-4-16(14)21)31(27,28)24-6-8-30-9-7-24/h2-5,10-11H,6-9H2,1H3,(H,22,25)(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Research Foundation US Patent					Assay Description The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chem...				US Patent US8987335 (2015) BindingDB Entry DOI: 10.7270/Q2GQ6WGH
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50445335 (CHEMBL3104246 | US9555024, 6) Show SMILES COc1ccc(Cl)cc1C(=O)NNC(=O)c1cc(ccc1F)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C19H19ClFN3O6S/c1-29-17-5-2-12(20)10-15(17)19(26)23-22-18(25)14-11-13(3-4-16(14)21)31(27,28)24-6-8-30-9-7-24/h2-5,10-11H,6-9H2,1H3,(H,22,25)(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Research Foundation US Patent					Assay Description The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chem...				US Patent US9555024 (2017) BindingDB Entry DOI: 10.7270/Q21R6SH1
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50445335 (CHEMBL3104246 | US9555024, 6) Show SMILES COc1ccc(Cl)cc1C(=O)NNC(=O)c1cc(ccc1F)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C19H19ClFN3O6S/c1-29-17-5-2-12(20)10-15(17)19(26)23-22-18(25)14-11-13(3-4-16(14)21)31(27,28)24-6-8-30-9-7-24/h2-5,10-11H,6-9H2,1H3,(H,22,25)(H,23,26)	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	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of LSD1 (unknown origin) using dimethyl K4 peptide as substrate assessed as resorufin level by spectrophotometric analysis				J Med Chem 56: 9496-508 (2014) Article DOI: 10.1021/jm400870h BindingDB Entry DOI: 10.7270/Q2Z60QJ7
					More data for this Ligand-Target Pair