BDBM105597 US10047086, 111::US10640503, Example 111::US9695168, 111

SMILES: CCN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc4oc(=O)n(C)c4cc3F)n3cncc23)C1

InChI Key: InChIKey=OGYCNPCEYXMBDK-LJQANCHMSA-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 = 105597   

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))	BDBM105597 (US10047086, 111 | US10640503, Example 111 | US9695...) Show SMILES CCN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc4oc(=O)n(C)c4cc3F)n3cncc23)C1 |r,wD:6.6,(9.96,1.67,;8.62,.9,;7.29,1.67,;7.29,3.21,;5.96,3.98,;4.62,3.21,;4.62,1.67,;3.29,.9,;1.95,1.67,;.62,.9,;-.71,1.67,;-2.05,.9,;-3.38,1.67,;-3.38,3.21,;-4.71,3.98,;-6.05,3.21,;-6.05,1.67,;-4.71,.9,;-7.38,3.98,;-8.71,4.75,;-2.05,-.64,;-3.38,-1.41,;-4.71,-.64,;-6.05,-1.41,;-7.51,-.93,;-8.42,-2.18,;-9.96,-2.18,;-7.51,-3.42,;-8.28,-4.75,;-6.05,-2.95,;-4.71,-3.72,;-3.38,-2.95,;-2.05,-3.72,;-.71,-1.41,;-.39,-2.91,;1.14,-3.07,;1.77,-1.67,;.62,-.64,;5.96,.9,)| Show InChI InChI=1S/C29H27FN6O3/c1-3-35-10-4-5-19(15-35)16-38-28-24-14-32-17-36(24)27(26(33-28)20-8-6-18(13-31)7-9-20)21-11-25-23(12-22(21)30)34(2)29(37)39-25/h6-9,11-12,14,17,19H,3-5,10,15-16H2,1-2H3/t19-/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))	BDBM105597 (US10047086, 111 | US10640503, Example 111 | US9695...) Show SMILES CCN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc4oc(=O)n(C)c4cc3F)n3cncc23)C1 |r,wD:6.6,(9.96,1.67,;8.62,.9,;7.29,1.67,;7.29,3.21,;5.96,3.98,;4.62,3.21,;4.62,1.67,;3.29,.9,;1.95,1.67,;.62,.9,;-.71,1.67,;-2.05,.9,;-3.38,1.67,;-3.38,3.21,;-4.71,3.98,;-6.05,3.21,;-6.05,1.67,;-4.71,.9,;-7.38,3.98,;-8.71,4.75,;-2.05,-.64,;-3.38,-1.41,;-4.71,-.64,;-6.05,-1.41,;-7.51,-.93,;-8.42,-2.18,;-9.96,-2.18,;-7.51,-3.42,;-8.28,-4.75,;-6.05,-2.95,;-4.71,-3.72,;-3.38,-2.95,;-2.05,-3.72,;-.71,-1.41,;-.39,-2.91,;1.14,-3.07,;1.77,-1.67,;.62,-.64,;5.96,.9,)| Show InChI InChI=1S/C29H27FN6O3/c1-3-35-10-4-5-19(15-35)16-38-28-24-14-32-17-36(24)27(26(33-28)20-8-6-18(13-31)7-9-20)21-11-25-23(12-22(21)30)34(2)29(37)39-25/h6-9,11-12,14,17,19H,3-5,10,15-16H2,1-2H3/t19-/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))	BDBM105597 (US10047086, 111 | US10640503, Example 111 | US9695...) Show SMILES CCN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc4oc(=O)n(C)c4cc3F)n3cncc23)C1 |r,wD:6.6,(9.96,1.67,;8.62,.9,;7.29,1.67,;7.29,3.21,;5.96,3.98,;4.62,3.21,;4.62,1.67,;3.29,.9,;1.95,1.67,;.62,.9,;-.71,1.67,;-2.05,.9,;-3.38,1.67,;-3.38,3.21,;-4.71,3.98,;-6.05,3.21,;-6.05,1.67,;-4.71,.9,;-7.38,3.98,;-8.71,4.75,;-2.05,-.64,;-3.38,-1.41,;-4.71,-.64,;-6.05,-1.41,;-7.51,-.93,;-8.42,-2.18,;-9.96,-2.18,;-7.51,-3.42,;-8.28,-4.75,;-6.05,-2.95,;-4.71,-3.72,;-3.38,-2.95,;-2.05,-3.72,;-.71,-1.41,;-.39,-2.91,;1.14,-3.07,;1.77,-1.67,;.62,-.64,;5.96,.9,)| Show InChI InChI=1S/C29H27FN6O3/c1-3-35-10-4-5-19(15-35)16-38-28-24-14-32-17-36(24)27(26(33-28)20-8-6-18(13-31)7-9-20)21-11-25-23(12-22(21)30)34(2)29(37)39-25/h6-9,11-12,14,17,19H,3-5,10,15-16H2,1-2H3/t19-/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