Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM243996'   

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))	BDBM243996 (N-(5-methyl-1,2- oxazol-3-yl)-5- ((1R,2R)-2- ((tet...) Show SMILES Cc1cc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)no1 |r| Show InChI InChI=1S/C18H23N3O3S/c1-11-6-17(21-24-11)20-18(22)13-7-16(25-10-13)14-8-15(14)19-9-12-2-4-23-5-3-12/h6-7,10,12,14-15,19H,2-5,8-9H2,1H3,(H,20,21,22)/t14-,15-/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	<100	n/a	n/a	n/a	n/a	8.0	25
Takeda Pharmaceutical Company Limited US Patent					Assay Description A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and the m...				US Patent US9718814 (2017) BindingDB Entry DOI: 10.7270/Q21838J9
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM243996 (N-(5-methyl-1,2- oxazol-3-yl)-5- ((1R,2R)-2- ((tet...) Show SMILES Cc1cc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)no1 |r| Show InChI InChI=1S/C18H23N3O3S/c1-11-6-17(21-24-11)20-18(22)13-7-16(25-10-13)14-8-15(14)19-9-12-2-4-23-5-3-12/h6-7,10,12,14-15,19H,2-5,8-9H2,1H3,(H,20,21,22)/t14-,15-/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	<100	n/a	n/a	n/a	n/a	8.0	25
Takeda Pharmaceutical Company Limited US Patent					Assay Description A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and the m...				US Patent US9714241 (2017) BindingDB Entry DOI: 10.7270/Q2QZ2CZN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM243996 (N-(5-methyl-1,2- oxazol-3-yl)-5- ((1R,2R)-2- ((tet...) Show SMILES Cc1cc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)no1 |r| Show InChI InChI=1S/C18H23N3O3S/c1-11-6-17(21-24-11)20-18(22)13-7-16(25-10-13)14-8-15(14)19-9-12-2-4-23-5-3-12/h6-7,10,12,14-15,19H,2-5,8-9H2,1H3,(H,20,21,22)/t14-,15-/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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and...				US Patent US10414761 (2019) BindingDB Entry DOI: 10.7270/Q2V98BFG
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM243996 (N-(5-methyl-1,2- oxazol-3-yl)-5- ((1R,2R)-2- ((tet...) Show SMILES Cc1cc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)no1 |r| Show InChI InChI=1S/C18H23N3O3S/c1-11-6-17(21-24-11)20-18(22)13-7-16(25-10-13)14-8-15(14)19-9-12-2-4-23-5-3-12/h6-7,10,12,14-15,19H,2-5,8-9H2,1H3,(H,20,21,22)/t14-,15-/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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Montana State University					Assay Description A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and the m...				J Med Chem 50: 4928-38 (2007) BindingDB Entry DOI: 10.7270/Q2R213PQ
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM243996 (N-(5-methyl-1,2- oxazol-3-yl)-5- ((1R,2R)-2- ((tet...) Show SMILES Cc1cc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)no1 |r| Show InChI InChI=1S/C18H23N3O3S/c1-11-6-17(21-24-11)20-18(22)13-7-16(25-10-13)14-8-15(14)19-9-12-2-4-23-5-3-12/h6-7,10,12,14-15,19H,2-5,8-9H2,1H3,(H,20,21,22)/t14-,15-/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	<100	n/a	n/a	n/a	n/a	8.0	25
Takeda Pharmaceutical Company Limited US Patent					Assay Description A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and the m...				US Patent US10053456 (2018) BindingDB Entry DOI: 10.7270/Q23J3FZ4
					More data for this Ligand-Target Pair