BDBM103876 US10125133, Example 3::US10968221, Example 3::US9695167, 3

SMILES: CN1CCC(CCc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ncnc23)C1

InChI Key: InChIKey=HSJIKQHSEINENF-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 = 103876   

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))	BDBM103876 (US10125133, Example 3 | US10968221, Example 3 | US...) Show SMILES CN1CCC(CCc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ncnc23)C1 Show InChI InChI=1S/C27H27N5/c1-19-3-8-23(9-4-19)26-25(22-10-5-20(16-28)6-11-22)15-24(27-29-18-30-32(26)27)12-7-21-13-14-31(2)17-21/h3-6,8-11,15,18,21H,7,12-14,17H2,1-2H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	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 US9695167 (2017) BindingDB Entry DOI: 10.7270/Q2XP7334
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM103876 (US10125133, Example 3 | US10968221, Example 3 | US...) Show SMILES CN1CCC(CCc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ncnc23)C1 Show InChI InChI=1S/C27H27N5/c1-19-3-8-23(9-4-19)26-25(22-10-5-20(16-28)6-11-22)15-24(27-29-18-30-32(26)27)12-7-21-13-14-31(2)17-21/h3-6,8-11,15,18,21H,7,12-14,17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	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 US10968221 (2021)
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM103876 (US10125133, Example 3 | US10968221, Example 3 | US...) Show SMILES CN1CCC(CCc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ncnc23)C1 Show InChI InChI=1S/C27H27N5/c1-19-3-8-23(9-4-19)26-25(22-10-5-20(16-28)6-11-22)15-24(27-29-18-30-32(26)27)12-7-21-13-14-31(2)17-21/h3-6,8-11,15,18,21H,7,12-14,17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	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 US10125133 (2018) BindingDB Entry DOI: 10.7270/Q2930W7B
					More data for this Ligand-Target Pair