BDBM50346585 CHEMBL1795980::S2101

SMILES: NC1CC1c1cc(F)cc(F)c1OCc1ccccc1

InChI Key: InChIKey=FEABGXGNJUOXAX-UHFFFAOYSA-N

Data: 5 KI  2 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 7 hits for monomerid = 50346585   

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))	BDBM50346585 (CHEMBL1795980 | S2101) Show SMILES NC1CC1c1cc(F)cc(F)c1OCc1ccccc1 Show InChI InChI=1S/C16H15F2NO/c17-11-6-13(12-8-15(12)19)16(14(18)7-11)20-9-10-4-2-1-3-5-10/h1-7,12,15H,8-9,19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Prefectural University of Medicine Curated by ChEMBL					Assay Description Inhibition of LSD1				J Med Chem 54: 8236-50 (2011) Article DOI: 10.1021/jm201048w BindingDB Entry DOI: 10.7270/Q2D50NFR
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50346585 (CHEMBL1795980 | S2101) Show SMILES NC1CC1c1cc(F)cc(F)c1OCc1ccccc1 Show InChI InChI=1S/C16H15F2NO/c17-11-6-13(12-8-15(12)19)16(14(18)7-11)20-9-10-4-2-1-3-5-10/h1-7,12,15H,8-9,19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of LSD1				Bioorg Med Chem 19: 3625-36 (2011) Article DOI: 10.1016/j.bmc.2011.01.046 BindingDB Entry DOI: 10.7270/Q23X870S
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50346585 (CHEMBL1795980 | S2101) Show SMILES NC1CC1c1cc(F)cc(F)c1OCc1ccccc1 Show InChI InChI=1S/C16H15F2NO/c17-11-6-13(12-8-15(12)19)16(14(18)7-11)20-9-10-4-2-1-3-5-10/h1-7,12,15H,8-9,19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Inhibition of human LSD1				Bioorg Med Chem 19: 3709-16 (2011) Article DOI: 10.1016/j.bmc.2011.02.017 BindingDB Entry DOI: 10.7270/Q2J38SWT
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50346585 (CHEMBL1795980 | S2101) Show SMILES NC1CC1c1cc(F)cc(F)c1OCc1ccccc1 Show InChI InChI=1S/C16H15F2NO/c17-11-6-13(12-8-15(12)19)16(14(18)7-11)20-9-10-4-2-1-3-5-10/h1-7,12,15H,8-9,19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Prefectural University of Medicine Curated by ChEMBL					Assay Description Inhibition of MAO B				J Med Chem 54: 8236-50 (2011) Article DOI: 10.1021/jm201048w BindingDB Entry DOI: 10.7270/Q2D50NFR
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50346585 (CHEMBL1795980 | S2101) Show SMILES NC1CC1c1cc(F)cc(F)c1OCc1ccccc1 Show InChI InChI=1S/C16H15F2NO/c17-11-6-13(12-8-15(12)19)16(14(18)7-11)20-9-10-4-2-1-3-5-10/h1-7,12,15H,8-9,19H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Prefectural University of Medicine Curated by ChEMBL					Assay Description Inhibition of MAO A				J Med Chem 54: 8236-50 (2011) Article DOI: 10.1021/jm201048w BindingDB Entry DOI: 10.7270/Q2D50NFR
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50346585 (CHEMBL1795980 | S2101) Show SMILES NC1CC1c1cc(F)cc(F)c1OCc1ccccc1 Show InChI InChI=1S/C16H15F2NO/c17-11-6-13(12-8-15(12)19)16(14(18)7-11)20-9-10-4-2-1-3-5-10/h1-7,12,15H,8-9,19H2	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	990	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of human recombinant LSD1 using dimethylated H3K4 peptide as substrate after 1 hr				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
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50346585 (CHEMBL1795980 | S2101) Show SMILES NC1CC1c1cc(F)cc(F)c1OCc1ccccc1 Show InChI InChI=1S/C16H15F2NO/c17-11-6-13(12-8-15(12)19)16(14(18)7-11)20-9-10-4-2-1-3-5-10/h1-7,12,15H,8-9,19H2	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	990	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Systems and Structural Biology Center					Assay Description The kinetic inhibition parameters of LSD1 demethylase inhibition were obtained using the peroxidase-coupled reaction method.				Biochemistry 49: 6494-503 (2010) Article DOI: 10.1021/bi100299r BindingDB Entry DOI: 10.7270/Q2PK0DSZ
					More data for this Ligand-Target Pair