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SMILES: CN(C)[C@H]1CCN(C1)c1nc(-c2ccc(cc2)C#N)c(-c2cc3oc(=O)n(C)c3cc2F)n2cncc12

InChI Key: InChIKey=IHUHKNAJUSJHAP-SFHVURJKSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 105600   

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))	BDBM105600 (US10047086, 113 | US10640503, Example 113 | US9695...) Show SMILES CN(C)[C@H]1CCN(C1)c1nc(-c2ccc(cc2)C#N)c(-c2cc3oc(=O)n(C)c3cc2F)n2cncc12 |r,wU:3.2,(5.05,5.51,;6.14,4.42,;7.63,4.82,;5.75,2.93,;6.65,1.69,;5.75,.44,;4.28,.92,;4.28,2.46,;2.95,.15,;1.61,.92,;.28,.15,;-1.05,.92,;-1.05,2.46,;-2.39,3.23,;-3.72,2.46,;-3.72,.92,;-2.39,.15,;-5.06,3.23,;-6.39,4,;.28,-1.39,;-1.05,-2.16,;-2.39,-1.39,;-3.72,-2.16,;-5.19,-1.69,;-6.09,-2.93,;-7.63,-2.93,;-5.19,-4.18,;-5.96,-5.51,;-3.72,-3.7,;-2.39,-4.47,;-1.05,-3.7,;.28,-4.47,;1.61,-2.16,;1.93,-3.67,;3.46,-3.83,;4.09,-2.42,;2.95,-1.39,)| Show InChI InChI=1S/C27H24FN7O2/c1-32(2)18-8-9-34(14-18)26-22-13-30-15-35(22)25(24(31-26)17-6-4-16(12-29)5-7-17)19-10-23-21(11-20(19)28)33(3)27(36)37-23/h4-7,10-11,13,15,18H,8-9,14H2,1-3H3/t18-/m0/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))	BDBM105600 (US10047086, 113 | US10640503, Example 113 | US9695...) Show SMILES CN(C)[C@H]1CCN(C1)c1nc(-c2ccc(cc2)C#N)c(-c2cc3oc(=O)n(C)c3cc2F)n2cncc12 |r,wU:3.2,(5.05,5.51,;6.14,4.42,;7.63,4.82,;5.75,2.93,;6.65,1.69,;5.75,.44,;4.28,.92,;4.28,2.46,;2.95,.15,;1.61,.92,;.28,.15,;-1.05,.92,;-1.05,2.46,;-2.39,3.23,;-3.72,2.46,;-3.72,.92,;-2.39,.15,;-5.06,3.23,;-6.39,4,;.28,-1.39,;-1.05,-2.16,;-2.39,-1.39,;-3.72,-2.16,;-5.19,-1.69,;-6.09,-2.93,;-7.63,-2.93,;-5.19,-4.18,;-5.96,-5.51,;-3.72,-3.7,;-2.39,-4.47,;-1.05,-3.7,;.28,-4.47,;1.61,-2.16,;1.93,-3.67,;3.46,-3.83,;4.09,-2.42,;2.95,-1.39,)| Show InChI InChI=1S/C27H24FN7O2/c1-32(2)18-8-9-34(14-18)26-22-13-30-15-35(22)25(24(31-26)17-6-4-16(12-29)5-7-17)19-10-23-21(11-20(19)28)33(3)27(36)37-23/h4-7,10-11,13,15,18H,8-9,14H2,1-3H3/t18-/m0/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))	BDBM105600 (US10047086, 113 | US10640503, Example 113 | US9695...) Show SMILES CN(C)[C@H]1CCN(C1)c1nc(-c2ccc(cc2)C#N)c(-c2cc3oc(=O)n(C)c3cc2F)n2cncc12 |r,wU:3.2,(5.05,5.51,;6.14,4.42,;7.63,4.82,;5.75,2.93,;6.65,1.69,;5.75,.44,;4.28,.92,;4.28,2.46,;2.95,.15,;1.61,.92,;.28,.15,;-1.05,.92,;-1.05,2.46,;-2.39,3.23,;-3.72,2.46,;-3.72,.92,;-2.39,.15,;-5.06,3.23,;-6.39,4,;.28,-1.39,;-1.05,-2.16,;-2.39,-1.39,;-3.72,-2.16,;-5.19,-1.69,;-6.09,-2.93,;-7.63,-2.93,;-5.19,-4.18,;-5.96,-5.51,;-3.72,-3.7,;-2.39,-4.47,;-1.05,-3.7,;.28,-4.47,;1.61,-2.16,;1.93,-3.67,;3.46,-3.83,;4.09,-2.42,;2.95,-1.39,)| Show InChI InChI=1S/C27H24FN7O2/c1-32(2)18-8-9-34(14-18)26-22-13-30-15-35(22)25(24(31-26)17-6-4-16(12-29)5-7-17)19-10-23-21(11-20(19)28)33(3)27(36)37-23/h4-7,10-11,13,15,18H,8-9,14H2,1-3H3/t18-/m0/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