Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM456491'   

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))	BDBM456491 (US10723742, Example 218 | US10723742, Example 221 ...) Show SMILES CCC(O)(CC)Cn1nnc2cc(c(F)c(Cl)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:41:40:38.37:35| Show InChI InChI=1S/C32H31ClF2N6O2/c1-3-32(43,4-2)16-40-30-26(38-39-40)14-23(29(35)28(30)33)21-9-7-18(31(42)41-20-8-10-27(41)25(37)13-20)11-22(21)17-5-6-19(15-36)24(34)12-17/h5-7,9,11-12,14,20,25,27,43H,3-4,8,10,13,16,37H2,1-2H3/t20-,25+,27+/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	0.0700	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))	BDBM456491 (US10723742, Example 218 | US10723742, Example 221 ...) Show SMILES CCC(O)(CC)Cn1nnc2cc(c(F)c(Cl)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:41:40:38.37:35| Show InChI InChI=1S/C32H31ClF2N6O2/c1-3-32(43,4-2)16-40-30-26(38-39-40)14-23(29(35)28(30)33)21-9-7-18(31(42)41-20-8-10-27(41)25(37)13-20)11-22(21)17-5-6-19(15-36)24(34)12-17/h5-7,9,11-12,14,20,25,27,43H,3-4,8,10,13,16,37H2,1-2H3/t20-,25+,27+/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	0.0700	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))	BDBM456491 (US10723742, Example 218 | US10723742, Example 221 ...) Show SMILES CCC(O)(CC)Cn1nnc2cc(c(F)c(Cl)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:41:40:38.37:35| Show InChI InChI=1S/C32H31ClF2N6O2/c1-3-32(43,4-2)16-40-30-26(38-39-40)14-23(29(35)28(30)33)21-9-7-18(31(42)41-20-8-10-27(41)25(37)13-20)11-22(21)17-5-6-19(15-36)24(34)12-17/h5-7,9,11-12,14,20,25,27,43H,3-4,8,10,13,16,37H2,1-2H3/t20-,25+,27+/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	0.200	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))	BDBM456491 (US10723742, Example 218 | US10723742, Example 221 ...) Show SMILES CCC(O)(CC)Cn1nnc2cc(c(F)c(Cl)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:41:40:38.37:35| Show InChI InChI=1S/C32H31ClF2N6O2/c1-3-32(43,4-2)16-40-30-26(38-39-40)14-23(29(35)28(30)33)21-9-7-18(31(42)41-20-8-10-27(41)25(37)13-20)11-22(21)17-5-6-19(15-36)24(34)12-17/h5-7,9,11-12,14,20,25,27,43H,3-4,8,10,13,16,37H2,1-2H3/t20-,25+,27+/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	0.200	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