BDBM105586 US10047086, 105::US9695168, 105

SMILES: CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3N(C)C(=O)COc3c2)n2cncc12

InChI Key: InChIKey=FKIBBIRJDQPQLK-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 105586   

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))	BDBM105586 (US10047086, 105 | US9695168, 105) Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3N(C)C(=O)COc3c2)n2cncc12 Show InChI InChI=1S/C28H28N8O2/c1-33(2)21-8-10-35(11-9-21)27-22-15-30-17-36(22)26(25(32-27)19-6-4-18(13-29)5-7-19)20-12-23-28(31-14-20)34(3)24(37)16-38-23/h4-7,12,14-15,17,21H,8-11,16H2,1-3H3	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
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM105586 (US10047086, 105 | US9695168, 105) Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3N(C)C(=O)COc3c2)n2cncc12 Show InChI InChI=1S/C28H28N8O2/c1-33(2)21-8-10-35(11-9-21)27-22-15-30-17-36(22)26(25(32-27)19-6-4-18(13-29)5-7-19)20-12-23-28(31-14-20)34(3)24(37)16-38-23/h4-7,12,14-15,17,21H,8-11,16H2,1-3H3	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