Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM244016'   

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))	BDBM244016 (4-((4-((((1R,2R)-2- (4-((4,4-difluoro- cyclohexyl)...) Show SMILES OC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3cc(cs3)C(=O)NC3CCC(F)(F)CC3)CC2)cc1 |r| Show InChI InChI=1S/C28H35F2N3O3S/c29-28(30)9-5-22(6-10-28)32-26(34)21-13-25(37-17-21)23-14-24(23)31-15-18-7-11-33(12-8-18)16-19-1-3-20(4-2-19)27(35)36/h1-4,13,17-18,22-24,31H,5-12,14-16H2,(H,32,34)(H,35,36)/t23-,24-/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))	BDBM244016 (4-((4-((((1R,2R)-2- (4-((4,4-difluoro- cyclohexyl)...) Show SMILES OC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3cc(cs3)C(=O)NC3CCC(F)(F)CC3)CC2)cc1 |r| Show InChI InChI=1S/C28H35F2N3O3S/c29-28(30)9-5-22(6-10-28)32-26(34)21-13-25(37-17-21)23-14-24(23)31-15-18-7-11-33(12-8-18)16-19-1-3-20(4-2-19)27(35)36/h1-4,13,17-18,22-24,31H,5-12,14-16H2,(H,32,34)(H,35,36)/t23-,24-/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))	BDBM244016 (4-((4-((((1R,2R)-2- (4-((4,4-difluoro- cyclohexyl)...) Show SMILES OC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3cc(cs3)C(=O)NC3CCC(F)(F)CC3)CC2)cc1 |r| Show InChI InChI=1S/C28H35F2N3O3S/c29-28(30)9-5-22(6-10-28)32-26(34)21-13-25(37-17-21)23-14-24(23)31-15-18-7-11-33(12-8-18)16-19-1-3-20(4-2-19)27(35)36/h1-4,13,17-18,22-24,31H,5-12,14-16H2,(H,32,34)(H,35,36)/t23-,24-/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 US10968213 (2021) BindingDB Entry DOI: 10.7270/Q2542RQT
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM244016 (4-((4-((((1R,2R)-2- (4-((4,4-difluoro- cyclohexyl)...) Show SMILES OC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3cc(cs3)C(=O)NC3CCC(F)(F)CC3)CC2)cc1 |r| Show InChI InChI=1S/C28H35F2N3O3S/c29-28(30)9-5-22(6-10-28)32-26(34)21-13-25(37-17-21)23-14-24(23)31-15-18-7-11-33(12-8-18)16-19-1-3-20(4-2-19)27(35)36/h1-4,13,17-18,22-24,31H,5-12,14-16H2,(H,32,34)(H,35,36)/t23-,24-/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))	BDBM244016 (4-((4-((((1R,2R)-2- (4-((4,4-difluoro- cyclohexyl)...) Show SMILES OC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3cc(cs3)C(=O)NC3CCC(F)(F)CC3)CC2)cc1 |r| Show InChI InChI=1S/C28H35F2N3O3S/c29-28(30)9-5-22(6-10-28)32-26(34)21-13-25(37-17-21)23-14-24(23)31-15-18-7-11-33(12-8-18)16-19-1-3-20(4-2-19)27(35)36/h1-4,13,17-18,22-24,31H,5-12,14-16H2,(H,32,34)(H,35,36)/t23-,24-/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))	BDBM244016 (4-((4-((((1R,2R)-2- (4-((4,4-difluoro- cyclohexyl)...) Show SMILES OC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3cc(cs3)C(=O)NC3CCC(F)(F)CC3)CC2)cc1 |r| Show InChI InChI=1S/C28H35F2N3O3S/c29-28(30)9-5-22(6-10-28)32-26(34)21-13-25(37-17-21)23-14-24(23)31-15-18-7-11-33(12-8-18)16-19-1-3-20(4-2-19)27(35)36/h1-4,13,17-18,22-24,31H,5-12,14-16H2,(H,32,34)(H,35,36)/t23-,24-/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