Found 2 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM105597' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/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)) | BDBM105597
![PNG](/data/jpeg/tenK10/BindingDB_105597.png) (US10047086, 111 | US10640503, Example 111 | US9695...)Show SMILES CCN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc4oc(=O)n(C)c4cc3F)n3cncc23)C1 |r,wD:6.6,(9.96,1.67,;8.62,.9,;7.29,1.67,;7.29,3.21,;5.96,3.98,;4.62,3.21,;4.62,1.67,;3.29,.9,;1.95,1.67,;.62,.9,;-.71,1.67,;-2.05,.9,;-3.38,1.67,;-3.38,3.21,;-4.71,3.98,;-6.05,3.21,;-6.05,1.67,;-4.71,.9,;-7.38,3.98,;-8.71,4.75,;-2.05,-.64,;-3.38,-1.41,;-4.71,-.64,;-6.05,-1.41,;-7.51,-.93,;-8.42,-2.18,;-9.96,-2.18,;-7.51,-3.42,;-8.28,-4.75,;-6.05,-2.95,;-4.71,-3.72,;-3.38,-2.95,;-2.05,-3.72,;-.71,-1.41,;-.39,-2.91,;1.14,-3.07,;1.77,-1.67,;.62,-.64,;5.96,.9,)| Show InChI InChI=1S/C29H27FN6O3/c1-3-35-10-4-5-19(15-35)16-38-28-24-14-32-17-36(24)27(26(33-28)20-8-6-18(13-31)7-9-20)21-11-25-23(12-22(21)30)34(2)29(37)39-25/h6-9,11-12,14,17,19H,3-5,10,15-16H2,1-2H3/t19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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)
BindingDB Entry DOI: 10.7270/Q2D79FFC |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM105597
![PNG](/data/jpeg/tenK10/BindingDB_105597.png) (US10047086, 111 | US10640503, Example 111 | US9695...)Show SMILES CCN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc4oc(=O)n(C)c4cc3F)n3cncc23)C1 |r,wD:6.6,(9.96,1.67,;8.62,.9,;7.29,1.67,;7.29,3.21,;5.96,3.98,;4.62,3.21,;4.62,1.67,;3.29,.9,;1.95,1.67,;.62,.9,;-.71,1.67,;-2.05,.9,;-3.38,1.67,;-3.38,3.21,;-4.71,3.98,;-6.05,3.21,;-6.05,1.67,;-4.71,.9,;-7.38,3.98,;-8.71,4.75,;-2.05,-.64,;-3.38,-1.41,;-4.71,-.64,;-6.05,-1.41,;-7.51,-.93,;-8.42,-2.18,;-9.96,-2.18,;-7.51,-3.42,;-8.28,-4.75,;-6.05,-2.95,;-4.71,-3.72,;-3.38,-2.95,;-2.05,-3.72,;-.71,-1.41,;-.39,-2.91,;1.14,-3.07,;1.77,-1.67,;.62,-.64,;5.96,.9,)| Show InChI InChI=1S/C29H27FN6O3/c1-3-35-10-4-5-19(15-35)16-38-28-24-14-32-17-36(24)27(26(33-28)20-8-6-18(13-31)7-9-20)21-11-25-23(12-22(21)30)34(2)29(37)39-25/h6-9,11-12,14,17,19H,3-5,10,15-16H2,1-2H3/t19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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 | |