BDBM105587 US10047086, 106::US10640503, Example 106::US9695168, 106

SMILES: CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3N(C)C(=O)OCc3c2)n2cncc12

InChI Key: InChIKey=SHWDYUJJQFIPES-UHFFFAOYSA-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 = 105587   

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))	BDBM105587 (US10047086, 106 | US10640503, Example 106 | US9695...) Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3N(C)C(=O)OCc3c2)n2cncc12 Show InChI InChI=1S/C29H29N7O2/c1-33(2)23-10-12-35(13-11-23)28-25-16-31-18-36(25)27(26(32-28)20-6-4-19(15-30)5-7-20)21-8-9-24-22(14-21)17-38-29(37)34(24)3/h4-9,14,16,18,23H,10-13,17H2,1-3H3	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))	BDBM105587 (US10047086, 106 | US10640503, Example 106 | US9695...) Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3N(C)C(=O)OCc3c2)n2cncc12 Show InChI InChI=1S/C29H29N7O2/c1-33(2)23-10-12-35(13-11-23)28-25-16-31-18-36(25)27(26(32-28)20-6-4-19(15-30)5-7-20)21-8-9-24-22(14-21)17-38-29(37)34(24)3/h4-9,14,16,18,23H,10-13,17H2,1-3H3	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))	BDBM105587 (US10047086, 106 | US10640503, Example 106 | US9695...) Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3N(C)C(=O)OCc3c2)n2cncc12 Show InChI InChI=1S/C29H29N7O2/c1-33(2)23-10-12-35(13-11-23)28-25-16-31-18-36(25)27(26(32-28)20-6-4-19(15-30)5-7-20)21-8-9-24-22(14-21)17-38-29(37)34(24)3/h4-9,14,16,18,23H,10-13,17H2,1-3H3	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