BDBM105686 US10047086, 121::US10640503, Example 121::US9695168, 121

SMILES: COCCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4ccoc4c3)n3cncc23)C1

InChI Key: InChIKey=OBMWNDRBYDVHJU-JOCHJYFZSA-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 = 105686   

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))	BDBM105686 (US10047086, 121 | US10640503, Example 121 | US9695...) Show SMILES COCCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4ccoc4c3)n3cncc23)C1 |r| Show InChI InChI=1S/C30H29N5O3/c1-36-12-10-34-9-2-3-22(18-34)19-38-29-14-25(23-6-4-21(15-31)5-7-23)30(35-20-32-17-27(29)35)24-13-28-26(33-16-24)8-11-37-28/h4-8,11,13-14,16-17,20,22H,2-3,9-10,12,18-19H2,1H3/t22-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	7.5	25
Incyte Corporation US Patent					Assay Description LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...				US Patent US9695168 (2017) BindingDB Entry DOI: 10.7270/Q2SX6BCD
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM105686 (US10047086, 121 | US10640503, Example 121 | US9695...) Show SMILES COCCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4ccoc4c3)n3cncc23)C1 |r| Show InChI InChI=1S/C30H29N5O3/c1-36-12-10-34-9-2-3-22(18-34)19-38-29-14-25(23-6-4-21(15-31)5-7-23)30(35-20-32-17-27(29)35)24-13-28-26(33-16-24)8-11-37-28/h4-8,11,13-14,16-17,20,22H,2-3,9-10,12,18-19H2,1H3/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<50	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 US10640503 (2020)
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM105686 (US10047086, 121 | US10640503, Example 121 | US9695...) Show SMILES COCCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4ccoc4c3)n3cncc23)C1 |r| Show InChI InChI=1S/C30H29N5O3/c1-36-12-10-34-9-2-3-22(18-34)19-38-29-14-25(23-6-4-21(15-31)5-7-23)30(35-20-32-17-27(29)35)24-13-28-26(33-16-24)8-11-37-28/h4-8,11,13-14,16-17,20,22H,2-3,9-10,12,18-19H2,1H3/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	7.5	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 US10047086 (2018) BindingDB Entry DOI: 10.7270/Q28917W4
					More data for this Ligand-Target Pair