Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM456531'   

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))	BDBM456531 (US10723742, Example 260 | US10723742, Example 263 ...) Show SMILES N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(c(c1)-c1ccc(C#N)c(F)c1)-c1cc2nnn(CC3(O)CCC3)c2c(C(F)F)c1F |THB:0:1:5.4:7| Show InChI InChI=1S/C32H28F4N6O2/c33-23-11-16(2-3-18(23)14-37)21-10-17(31(43)42-19-5-7-26(42)24(38)12-19)4-6-20(21)22-13-25-29(27(28(22)34)30(35)36)41(40-39-25)15-32(44)8-1-9-32/h2-4,6,10-11,13,19,24,26,30,44H,1,5,7-9,12,15,38H2/t19-,24+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.140	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))	BDBM456531 (US10723742, Example 260 | US10723742, Example 263 ...) Show SMILES N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(c(c1)-c1ccc(C#N)c(F)c1)-c1cc2nnn(CC3(O)CCC3)c2c(C(F)F)c1F |THB:0:1:5.4:7| Show InChI InChI=1S/C32H28F4N6O2/c33-23-11-16(2-3-18(23)14-37)21-10-17(31(43)42-19-5-7-26(42)24(38)12-19)4-6-20(21)22-13-25-29(27(28(22)34)30(35)36)41(40-39-25)15-32(44)8-1-9-32/h2-4,6,10-11,13,19,24,26,30,44H,1,5,7-9,12,15,38H2/t19-,24+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.140	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))	BDBM456531 (US10723742, Example 260 | US10723742, Example 263 ...) Show SMILES N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(c(c1)-c1ccc(C#N)c(F)c1)-c1cc2nnn(CC3(O)CCC3)c2c(C(F)F)c1F |THB:0:1:5.4:7| Show InChI InChI=1S/C32H28F4N6O2/c33-23-11-16(2-3-18(23)14-37)21-10-17(31(43)42-19-5-7-26(42)24(38)12-19)4-6-20(21)22-13-25-29(27(28(22)34)30(35)36)41(40-39-25)15-32(44)8-1-9-32/h2-4,6,10-11,13,19,24,26,30,44H,1,5,7-9,12,15,38H2/t19-,24+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.520	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))	BDBM456531 (US10723742, Example 260 | US10723742, Example 263 ...) Show SMILES N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(c(c1)-c1ccc(C#N)c(F)c1)-c1cc2nnn(CC3(O)CCC3)c2c(C(F)F)c1F |THB:0:1:5.4:7| Show InChI InChI=1S/C32H28F4N6O2/c33-23-11-16(2-3-18(23)14-37)21-10-17(31(43)42-19-5-7-26(42)24(38)12-19)4-6-20(21)22-13-25-29(27(28(22)34)30(35)36)41(40-39-25)15-32(44)8-1-9-32/h2-4,6,10-11,13,19,24,26,30,44H,1,5,7-9,12,15,38H2/t19-,24+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.520	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