Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM456304'   

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))	BDBM456304 (US10723742, Example 123 | US10723742, Example 23 |...) Show SMILES Cn1ccc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:35:34:30.31:28| Show InChI InChI=1S/C30H26F2N4O/c1-35-9-8-18-10-26(28(32)15-29(18)35)24-7-4-19(11-25(24)17-2-3-20(16-33)27(31)12-17)30(37)36-22-5-6-23(36)14-21(34)13-22/h2-4,7-12,15,21-23H,5-6,13-14,34H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...				US Patent US10723742 (2020) BindingDB Entry DOI: 10.7270/Q2TF01DB
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM456304 (US10723742, Example 123 | US10723742, Example 23 |...) Show SMILES Cn1ccc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:35:34:30.31:28| Show InChI InChI=1S/C30H26F2N4O/c1-35-9-8-18-10-26(28(32)15-29(18)35)24-7-4-19(11-25(24)17-2-3-20(16-33)27(31)12-17)30(37)36-22-5-6-23(36)14-21(34)13-22/h2-4,7-12,15,21-23H,5-6,13-14,34H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NC6513
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM456304 (US10723742, Example 123 | US10723742, Example 23 |...) Show SMILES Cn1ccc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:35:34:30.31:28| Show InChI InChI=1S/C30H26F2N4O/c1-35-9-8-18-10-26(28(32)15-29(18)35)24-7-4-19(11-25(24)17-2-3-20(16-33)27(31)12-17)30(37)36-22-5-6-23(36)14-21(34)13-22/h2-4,7-12,15,21-23H,5-6,13-14,34H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...				US Patent US10723742 (2020) BindingDB Entry DOI: 10.7270/Q2TF01DB
					More data for this Ligand-Target Pair