null

SMILES: COCCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cc(C)c(CO)c(F)c3)n3cncc23)C1

InChI Key: InChIKey=DBTJLWAEGGJMST-HSZRJFAPSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 105764   

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 [151-852] (Homo sapiens (Human))	BDBM105764 (US10047086, 129 | US10640503, Example 129 | US9695...) Show SMILES COCCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cc(C)c(CO)c(F)c3)n3cncc23)C1 |r| Show InChI InChI=1S/C31H33FN4O3/c1-21-12-25(13-28(32)27(21)18-37)31-26(24-7-5-22(15-33)6-8-24)14-30(29-16-34-20-36(29)31)39-19-23-4-3-9-35(17-23)10-11-38-2/h5-8,12-14,16,20,23,37H,3-4,9-11,17-19H2,1-2H3/t23-/m1/s1	PDB UniProtKB/SwissProt 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))	BDBM105764 (US10047086, 129 | US10640503, Example 129 | US9695...) Show SMILES COCCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cc(C)c(CO)c(F)c3)n3cncc23)C1 |r| Show InChI InChI=1S/C31H33FN4O3/c1-21-12-25(13-28(32)27(21)18-37)31-26(24-7-5-22(15-33)6-8-24)14-30(29-16-34-20-36(29)31)39-19-23-4-3-9-35(17-23)10-11-38-2/h5-8,12-14,16,20,23,37H,3-4,9-11,17-19H2,1-2H3/t23-/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))	BDBM105764 (US10047086, 129 | US10640503, Example 129 | US9695...) Show SMILES COCCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cc(C)c(CO)c(F)c3)n3cncc23)C1 |r| Show InChI InChI=1S/C31H33FN4O3/c1-21-12-25(13-28(32)27(21)18-37)31-26(24-7-5-22(15-33)6-8-24)14-30(29-16-34-20-36(29)31)39-19-23-4-3-9-35(17-23)10-11-38-2/h5-8,12-14,16,20,23,37H,3-4,9-11,17-19H2,1-2H3/t23-/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