BDBM50241533 CHEMBL4102775

SMILES: COc1ccc(CN(CC(=O)N2CCC3(CNC3)CC2)c2ccc(cc2)C#N)cc1F

InChI Key: InChIKey=RHEGUOJDLZUPSO-UHFFFAOYSA-N

Data: 2 IC50  1 Kd  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 4 hits for monomerid = 50241533   

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))	BDBM50241533 (CHEMBL4102775) Show SMILES COc1ccc(CN(CC(=O)N2CCC3(CNC3)CC2)c2ccc(cc2)C#N)cc1F Show InChI InChI=1S/C24H27FN4O2/c1-31-22-7-4-19(12-21(22)25)14-29(20-5-2-18(13-26)3-6-20)15-23(30)28-10-8-24(9-11-28)16-27-17-24/h2-7,12,27H,8-11,14-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	32	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))	BDBM50241533 (CHEMBL4102775) Show SMILES COc1ccc(CN(CC(=O)N2CCC3(CNC3)CC2)c2ccc(cc2)C#N)cc1F Show InChI InChI=1S/C24H27FN4O2/c1-31-22-7-4-19(12-21(22)25)14-29(20-5-2-18(13-26)3-6-20)15-23(30)28-10-8-24(9-11-28)16-27-17-24/h2-7,12,27H,8-11,14-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	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
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50241533 (CHEMBL4102775) Show SMILES COc1ccc(CN(CC(=O)N2CCC3(CNC3)CC2)c2ccc(cc2)C#N)cc1F Show InChI InChI=1S/C24H27FN4O2/c1-31-22-7-4-19(12-21(22)25)14-29(20-5-2-18(13-26)3-6-20)15-23(30)28-10-8-24(9-11-28)16-27-17-24/h2-7,12,27H,8-11,14-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	670	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of LSD1 in human THP1 cells assessed as induction of CD86 expression after 48 hrs by flow cytometric 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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50241533 (CHEMBL4102775) Show SMILES COc1ccc(CN(CC(=O)N2CCC3(CNC3)CC2)c2ccc(cc2)C#N)cc1F Show InChI InChI=1S/C24H27FN4O2/c1-31-22-7-4-19(12-21(22)25)14-29(20-5-2-18(13-26)3-6-20)15-23(30)28-10-8-24(9-11-28)16-27-17-24/h2-7,12,27H,8-11,14-17H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human hERG by patch clamp method				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