null

SMILES: Cc1ccc(c(F)c1)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)C#N

InChI Key: InChIKey=AMLWTBKMJWLDBE-LJQANCHMSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 103894   

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))	BDBM103894 (US10047086, 8 | US10640503, Example 8 | US9695168,...) Show SMILES Cc1ccc(c(F)c1)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)C#N |r,wD:14.14,(-6.52,-4.23,;-5.19,-3.46,;-5.19,-1.93,;-3.85,-1.15,;-2.52,-1.93,;-2.52,-3.46,;-1.18,-4.23,;-3.85,-4.23,;-1.18,-1.15,;-1.18,.38,;.15,1.15,;1.48,.38,;2.82,1.15,;4.15,.38,;5.48,1.15,;5.48,2.69,;6.95,3.17,;7.85,1.93,;6.95,.68,;1.48,-1.15,;2.63,-2.19,;2,-3.59,;.47,-3.43,;.15,-1.93,;-2.52,1.15,;-2.52,2.69,;-3.85,3.47,;-5.23,2.72,;-5.19,1.15,;-3.85,.38,;-6.57,3.49,;-7.9,4.26,)| Show InChI InChI=1S/C26H23FN4O/c1-17-2-7-21(23(27)10-17)26-22(20-5-3-18(12-28)4-6-20)11-25(24-14-30-16-31(24)26)32-15-19-8-9-29-13-19/h2-7,10-11,14,16,19,29H,8-9,13,15H2,1H3/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	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))	BDBM103894 (US10047086, 8 | US10640503, Example 8 | US9695168,...) Show SMILES Cc1ccc(c(F)c1)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)C#N |r,wD:14.14,(-6.52,-4.23,;-5.19,-3.46,;-5.19,-1.93,;-3.85,-1.15,;-2.52,-1.93,;-2.52,-3.46,;-1.18,-4.23,;-3.85,-4.23,;-1.18,-1.15,;-1.18,.38,;.15,1.15,;1.48,.38,;2.82,1.15,;4.15,.38,;5.48,1.15,;5.48,2.69,;6.95,3.17,;7.85,1.93,;6.95,.68,;1.48,-1.15,;2.63,-2.19,;2,-3.59,;.47,-3.43,;.15,-1.93,;-2.52,1.15,;-2.52,2.69,;-3.85,3.47,;-5.23,2.72,;-5.19,1.15,;-3.85,.38,;-6.57,3.49,;-7.9,4.26,)| Show InChI InChI=1S/C26H23FN4O/c1-17-2-7-21(23(27)10-17)26-22(20-5-3-18(12-28)4-6-20)11-25(24-14-30-16-31(24)26)32-15-19-8-9-29-13-19/h2-7,10-11,14,16,19,29H,8-9,13,15H2,1H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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))	BDBM103894 (US10047086, 8 | US10640503, Example 8 | US9695168,...) Show SMILES Cc1ccc(c(F)c1)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)C#N |r,wD:14.14,(-6.52,-4.23,;-5.19,-3.46,;-5.19,-1.93,;-3.85,-1.15,;-2.52,-1.93,;-2.52,-3.46,;-1.18,-4.23,;-3.85,-4.23,;-1.18,-1.15,;-1.18,.38,;.15,1.15,;1.48,.38,;2.82,1.15,;4.15,.38,;5.48,1.15,;5.48,2.69,;6.95,3.17,;7.85,1.93,;6.95,.68,;1.48,-1.15,;2.63,-2.19,;2,-3.59,;.47,-3.43,;.15,-1.93,;-2.52,1.15,;-2.52,2.69,;-3.85,3.47,;-5.23,2.72,;-5.19,1.15,;-3.85,.38,;-6.57,3.49,;-7.9,4.26,)| Show InChI InChI=1S/C26H23FN4O/c1-17-2-7-21(23(27)10-17)26-22(20-5-3-18(12-28)4-6-20)11-25(24-14-30-16-31(24)26)32-15-19-8-9-29-13-19/h2-7,10-11,14,16,19,29H,8-9,13,15H2,1H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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