Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM243995'   

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))	BDBM243995 (5-((1R,2R)-2-((1- cyclopropyl- piperidin-4-yl)- am...) Show SMILES FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@@H]1C[C@H]1NC1CCN(CC1)C1CC1 |r| Show InChI InChI=1S/C22H31F2N3OS/c23-22(24)7-3-15(4-8-22)26-21(28)14-11-20(29-13-14)18-12-19(18)25-16-5-9-27(10-6-16)17-1-2-17/h11,13,15-19,25H,1-10,12H2,(H,26,28)/t18-,19-/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))	BDBM243995 (5-((1R,2R)-2-((1- cyclopropyl- piperidin-4-yl)- am...) Show SMILES FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@@H]1C[C@H]1NC1CCN(CC1)C1CC1 |r| Show InChI InChI=1S/C22H31F2N3OS/c23-22(24)7-3-15(4-8-22)26-21(28)14-11-20(29-13-14)18-12-19(18)25-16-5-9-27(10-6-16)17-1-2-17/h11,13,15-19,25H,1-10,12H2,(H,26,28)/t18-,19-/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))	BDBM243995 (5-((1R,2R)-2-((1- cyclopropyl- piperidin-4-yl)- am...) Show SMILES FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@@H]1C[C@H]1NC1CCN(CC1)C1CC1 |r| Show InChI InChI=1S/C22H31F2N3OS/c23-22(24)7-3-15(4-8-22)26-21(28)14-11-20(29-13-14)18-12-19(18)25-16-5-9-27(10-6-16)17-1-2-17/h11,13,15-19,25H,1-10,12H2,(H,26,28)/t18-,19-/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))	BDBM243995 (5-((1R,2R)-2-((1- cyclopropyl- piperidin-4-yl)- am...) Show SMILES FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@@H]1C[C@H]1NC1CCN(CC1)C1CC1 |r| Show InChI InChI=1S/C22H31F2N3OS/c23-22(24)7-3-15(4-8-22)26-21(28)14-11-20(29-13-14)18-12-19(18)25-16-5-9-27(10-6-16)17-1-2-17/h11,13,15-19,25H,1-10,12H2,(H,26,28)/t18-,19-/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))	BDBM243995 (5-((1R,2R)-2-((1- cyclopropyl- piperidin-4-yl)- am...) Show SMILES FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@@H]1C[C@H]1NC1CCN(CC1)C1CC1 |r| Show InChI InChI=1S/C22H31F2N3OS/c23-22(24)7-3-15(4-8-22)26-21(28)14-11-20(29-13-14)18-12-19(18)25-16-5-9-27(10-6-16)17-1-2-17/h11,13,15-19,25H,1-10,12H2,(H,26,28)/t18-,19-/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))	BDBM243995 (5-((1R,2R)-2-((1- cyclopropyl- piperidin-4-yl)- am...) Show SMILES FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@@H]1C[C@H]1NC1CCN(CC1)C1CC1 |r| Show InChI InChI=1S/C22H31F2N3OS/c23-22(24)7-3-15(4-8-22)26-21(28)14-11-20(29-13-14)18-12-19(18)25-16-5-9-27(10-6-16)17-1-2-17/h11,13,15-19,25H,1-10,12H2,(H,26,28)/t18-,19-/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