BDBM104120 US10047086, 38::US10640503, Example 38::US9695168, 38

SMILES: Cn1ncc2cc(cnc12)-c1c(nc(OC[C@@H]2CCCN(CCC#N)C2)c2cncn12)-c1ccc(cc1)C#N

InChI Key: InChIKey=DOOHAHJXYIXIHZ-OAQYLSRUSA-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 = 104120   

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))	BDBM104120 (US10047086, 38 | US10640503, Example 38 | US969516...) Show SMILES Cn1ncc2cc(cnc12)-c1c(nc(OC[C@@H]2CCCN(CCC#N)C2)c2cncn12)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C29H27N9O/c1-36-28-24(15-34-36)12-23(14-33-28)27-26(22-7-5-20(13-31)6-8-22)35-29(25-16-32-19-38(25)27)39-18-21-4-2-10-37(17-21)11-3-9-30/h5-8,12,14-16,19,21H,2-4,10-11,17-18H2,1H3/t21-/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))	BDBM104120 (US10047086, 38 | US10640503, Example 38 | US969516...) Show SMILES Cn1ncc2cc(cnc12)-c1c(nc(OC[C@@H]2CCCN(CCC#N)C2)c2cncn12)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C29H27N9O/c1-36-28-24(15-34-36)12-23(14-33-28)27-26(22-7-5-20(13-31)6-8-22)35-29(25-16-32-19-38(25)27)39-18-21-4-2-10-37(17-21)11-3-9-30/h5-8,12,14-16,19,21H,2-4,10-11,17-18H2,1H3/t21-/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))	BDBM104120 (US10047086, 38 | US10640503, Example 38 | US969516...) Show SMILES Cn1ncc2cc(cnc12)-c1c(nc(OC[C@@H]2CCCN(CCC#N)C2)c2cncn12)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C29H27N9O/c1-36-28-24(15-34-36)12-23(14-33-28)27-26(22-7-5-20(13-31)6-8-22)35-29(25-16-32-19-38(25)27)39-18-21-4-2-10-37(17-21)11-3-9-30/h5-8,12,14-16,19,21H,2-4,10-11,17-18H2,1H3/t21-/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