BDBM50158864 CHEMBL3785509::US10513493, Example 30

SMILES: Nc1ccnc(n1)N1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1

InChI Key: InChIKey=YENRXRGKFMUFQA-JKSUJKDBSA-N

Data: 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 2 hits for monomerid = 50158864   

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))	BDBM50158864 (CHEMBL3785509 | US10513493, Example 30) Show SMILES Nc1ccnc(n1)N1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C18H23N5/c19-17-6-9-20-18(22-17)23-10-7-14(8-11-23)21-16-12-15(16)13-4-2-1-3-5-13/h1-6,9,14-16,21H,7-8,10-12H2,(H2,19,20,22)/t15-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation US Patent					Assay Description LANCE LSD1/KDM1A demethylase assay—10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...				US Patent US10513493 (2019) BindingDB Entry DOI: 10.7270/Q2MW2KJ4
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50158864 (CHEMBL3785509 | US10513493, Example 30) Show SMILES Nc1ccnc(n1)N1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C18H23N5/c19-17-6-9-20-18(22-17)23-10-7-14(8-11-23)21-16-12-15(16)13-4-2-1-3-5-13/h1-6,9,14-16,21H,7-8,10-12H2,(H2,19,20,22)/t15-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human recombinant KDM1A expressed in Escherichia coli using biotin-histone H3 as substrate preincubated for 1 hr followed by substrate ...				J Med Chem 59: 1308-29 (2016) BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair