BDBM105531 US10047086, 81::US10640503, Example 81::US9695168, 81

SMILES: CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc(C)c(C)c3)n3cncc23)C1

InChI Key: InChIKey=LTFBLZPHWCUOJH-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 = 105531   

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))	BDBM105531 (US10047086, 81 | US10640503, Example 81 | US969516...) Show SMILES CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc(C)c(C)c3)n3cncc23)C1 |r| Show InChI InChI=1S/C28H29N5O/c1-19-11-24(14-31-20(19)2)28-25(23-8-6-21(13-29)7-9-23)12-27(26-15-30-18-33(26)28)34-17-22-5-4-10-32(3)16-22/h6-9,11-12,14-15,18,22H,4-5,10,16-17H2,1-3H3/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))	BDBM105531 (US10047086, 81 | US10640503, Example 81 | US969516...) Show SMILES CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc(C)c(C)c3)n3cncc23)C1 |r| Show InChI InChI=1S/C28H29N5O/c1-19-11-24(14-31-20(19)2)28-25(23-8-6-21(13-29)7-9-23)12-27(26-15-30-18-33(26)28)34-17-22-5-4-10-32(3)16-22/h6-9,11-12,14-15,18,22H,4-5,10,16-17H2,1-3H3/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))	BDBM105531 (US10047086, 81 | US10640503, Example 81 | US969516...) Show SMILES CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc(C)c(C)c3)n3cncc23)C1 |r| Show InChI InChI=1S/C28H29N5O/c1-19-11-24(14-31-20(19)2)28-25(23-8-6-21(13-29)7-9-23)12-27(26-15-30-18-33(26)28)34-17-22-5-4-10-32(3)16-22/h6-9,11-12,14-15,18,22H,4-5,10,16-17H2,1-3H3/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