BDBM244006 5-((1R,2R)-2-((1- acetylpiperidin-4- yl)amino)cyclo- propyl)-N-(4,4- difluorocyclohexyl)- thiophene-3- carboxamide::US10053456, 91::US10414761, Example 91::US10968213, Example 91::US9718814, 91::US9920047, 91

SMILES: CC(=O)N1CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1

InChI Key: InChIKey=NQSJBSDHOHNDBO-QZTJIDSGSA-N

Data: 18 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 244006   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM244006 (5-((1R,2R)-2-((1- acetylpiperidin-4- yl)amino)cycl...) Show SMILES CC(=O)N1CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1 |r| Show InChI InChI=1S/C21H29F2N3O2S/c1-13(27)26-8-4-16(5-9-26)24-18-11-17(18)19-10-14(12-29-19)20(28)25-15-2-6-21(22,23)7-3-15/h10,12,15-18,24H,2-9,11H2,1H3,(H,25,28)/t17-,18-/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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM244006 (5-((1R,2R)-2-((1- acetylpiperidin-4- yl)amino)cycl...) Show SMILES CC(=O)N1CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1 |r| Show InChI InChI=1S/C21H29F2N3O2S/c1-13(27)26-8-4-16(5-9-26)24-18-11-17(18)19-10-14(12-29-19)20(28)25-15-2-6-21(22,23)7-3-15/h10,12,15-18,24H,2-9,11H2,1H3,(H,25,28)/t17-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The MAO-B inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound ...				US Patent US10968213 (2021)
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM244006 (5-((1R,2R)-2-((1- acetylpiperidin-4- yl)amino)cycl...) Show SMILES CC(=O)N1CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1 |r| Show InChI InChI=1S/C21H29F2N3O2S/c1-13(27)26-8-4-16(5-9-26)24-18-11-17(18)19-10-14(12-29-19)20(28)25-15-2-6-21(22,23)7-3-15/h10,12,15-18,24H,2-9,11H2,1H3,(H,25,28)/t17-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	25
Takeda Pharmaceutical Company Limited US Patent					Assay Description A test compound dissolved in DMSO was added to a reaction solution (100 mM HEPES (pH 7.5), 5% glycerol, 10% DMSO) containing MAO-B enzyme (Sigma-Aldr...				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))	BDBM244006 (5-((1R,2R)-2-((1- acetylpiperidin-4- yl)amino)cycl...) Show SMILES CC(=O)N1CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1 |r| Show InChI InChI=1S/C21H29F2N3O2S/c1-13(27)26-8-4-16(5-9-26)24-18-11-17(18)19-10-14(12-29-19)20(28)25-15-2-6-21(22,23)7-3-15/h10,12,15-18,24H,2-9,11H2,1H3,(H,25,28)/t17-,18-/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
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM244006 (5-((1R,2R)-2-((1- acetylpiperidin-4- yl)amino)cycl...) Show SMILES CC(=O)N1CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1 |r| Show InChI InChI=1S/C21H29F2N3O2S/c1-13(27)26-8-4-16(5-9-26)24-18-11-17(18)19-10-14(12-29-19)20(28)25-15-2-6-21(22,23)7-3-15/h10,12,15-18,24H,2-9,11H2,1H3,(H,25,28)/t17-,18-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	25
Takeda Pharmaceutical Company Limited US Patent					Assay Description The MAO-A inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound ...				US Patent US9714241 (2017) BindingDB Entry DOI: 10.7270/Q2QZ2CZN
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM244006 (5-((1R,2R)-2-((1- acetylpiperidin-4- yl)amino)cycl...) Show SMILES CC(=O)N1CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1 |r| Show InChI InChI=1S/C21H29F2N3O2S/c1-13(27)26-8-4-16(5-9-26)24-18-11-17(18)19-10-14(12-29-19)20(28)25-15-2-6-21(22,23)7-3-15/h10,12,15-18,24H,2-9,11H2,1H3,(H,25,28)/t17-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	25
Takeda Pharmaceutical Company Limited US Patent					Assay Description The MAO-B inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound ...				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))	BDBM244006 (5-((1R,2R)-2-((1- acetylpiperidin-4- yl)amino)cycl...) Show SMILES CC(=O)N1CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1 |r| Show InChI InChI=1S/C21H29F2N3O2S/c1-13(27)26-8-4-16(5-9-26)24-18-11-17(18)19-10-14(12-29-19)20(28)25-15-2-6-21(22,23)7-3-15/h10,12,15-18,24H,2-9,11H2,1H3,(H,25,28)/t17-,18-/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
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM244006 (5-((1R,2R)-2-((1- acetylpiperidin-4- yl)amino)cycl...) Show SMILES CC(=O)N1CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1 |r| Show InChI InChI=1S/C21H29F2N3O2S/c1-13(27)26-8-4-16(5-9-26)24-18-11-17(18)19-10-14(12-29-19)20(28)25-15-2-6-21(22,23)7-3-15/h10,12,15-18,24H,2-9,11H2,1H3,(H,25,28)/t17-,18-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	25
Takeda Pharmaceutical Company Limited US Patent					Assay Description The MAO-A inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound ...				US Patent US10053456 (2018) BindingDB Entry DOI: 10.7270/Q23J3FZ4
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM244006 (5-((1R,2R)-2-((1- acetylpiperidin-4- yl)amino)cycl...) Show SMILES CC(=O)N1CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1 |r| Show InChI InChI=1S/C21H29F2N3O2S/c1-13(27)26-8-4-16(5-9-26)24-18-11-17(18)19-10-14(12-29-19)20(28)25-15-2-6-21(22,23)7-3-15/h10,12,15-18,24H,2-9,11H2,1H3,(H,25,28)/t17-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	25
Takeda Pharmaceutical Company Limited US Patent					Assay Description The MAO-B inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound ...				US Patent US10053456 (2018) BindingDB Entry DOI: 10.7270/Q23J3FZ4
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM244006 (5-((1R,2R)-2-((1- acetylpiperidin-4- yl)amino)cycl...) Show SMILES CC(=O)N1CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1 |r| Show InChI InChI=1S/C21H29F2N3O2S/c1-13(27)26-8-4-16(5-9-26)24-18-11-17(18)19-10-14(12-29-19)20(28)25-15-2-6-21(22,23)7-3-15/h10,12,15-18,24H,2-9,11H2,1H3,(H,25,28)/t17-,18-/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
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM244006 (5-((1R,2R)-2-((1- acetylpiperidin-4- yl)amino)cycl...) Show SMILES CC(=O)N1CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1 |r| Show InChI InChI=1S/C21H29F2N3O2S/c1-13(27)26-8-4-16(5-9-26)24-18-11-17(18)19-10-14(12-29-19)20(28)25-15-2-6-21(22,23)7-3-15/h10,12,15-18,24H,2-9,11H2,1H3,(H,25,28)/t17-,18-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	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 to a reaction solution (100 mM HEPES (pH 7.5), 5% glycerol) containing MAO-A enzyme (Sigma-Aldrich Co. LL...				J Med Chem 50: 4928-38 (2007) BindingDB Entry DOI: 10.7270/Q2R213PQ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM244006 (5-((1R,2R)-2-((1- acetylpiperidin-4- yl)amino)cycl...) Show SMILES CC(=O)N1CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1 |r| Show InChI InChI=1S/C21H29F2N3O2S/c1-13(27)26-8-4-16(5-9-26)24-18-11-17(18)19-10-14(12-29-19)20(28)25-15-2-6-21(22,23)7-3-15/h10,12,15-18,24H,2-9,11H2,1H3,(H,25,28)/t17-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	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 to a reaction solution (100 mM HEPES (pH 7.5), 5% glycerol, 10% DMSO) containing MAO-B enzyme (Sigma-Aldr...				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))	BDBM244006 (5-((1R,2R)-2-((1- acetylpiperidin-4- yl)amino)cycl...) Show SMILES CC(=O)N1CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1 |r| Show InChI InChI=1S/C21H29F2N3O2S/c1-13(27)26-8-4-16(5-9-26)24-18-11-17(18)19-10-14(12-29-19)20(28)25-15-2-6-21(22,23)7-3-15/h10,12,15-18,24H,2-9,11H2,1H3,(H,25,28)/t17-,18-/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
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM244006 (5-((1R,2R)-2-((1- acetylpiperidin-4- yl)amino)cycl...) Show SMILES CC(=O)N1CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1 |r| Show InChI InChI=1S/C21H29F2N3O2S/c1-13(27)26-8-4-16(5-9-26)24-18-11-17(18)19-10-14(12-29-19)20(28)25-15-2-6-21(22,23)7-3-15/h10,12,15-18,24H,2-9,11H2,1H3,(H,25,28)/t17-,18-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description MAO-A: The MAO-A inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test co...				US Patent US10414761 (2019) BindingDB Entry DOI: 10.7270/Q2V98BFG
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM244006 (5-((1R,2R)-2-((1- acetylpiperidin-4- yl)amino)cycl...) Show SMILES CC(=O)N1CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1 |r| Show InChI InChI=1S/C21H29F2N3O2S/c1-13(27)26-8-4-16(5-9-26)24-18-11-17(18)19-10-14(12-29-19)20(28)25-15-2-6-21(22,23)7-3-15/h10,12,15-18,24H,2-9,11H2,1H3,(H,25,28)/t17-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description MAO-B: The MAO-B inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test co...				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))	BDBM244006 (5-((1R,2R)-2-((1- acetylpiperidin-4- yl)amino)cycl...) Show SMILES CC(=O)N1CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1 |r| Show InChI InChI=1S/C21H29F2N3O2S/c1-13(27)26-8-4-16(5-9-26)24-18-11-17(18)19-10-14(12-29-19)20(28)25-15-2-6-21(22,23)7-3-15/h10,12,15-18,24H,2-9,11H2,1H3,(H,25,28)/t17-,18-/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)
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM244006 (5-((1R,2R)-2-((1- acetylpiperidin-4- yl)amino)cycl...) Show SMILES CC(=O)N1CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1 |r| Show InChI InChI=1S/C21H29F2N3O2S/c1-13(27)26-8-4-16(5-9-26)24-18-11-17(18)19-10-14(12-29-19)20(28)25-15-2-6-21(22,23)7-3-15/h10,12,15-18,24H,2-9,11H2,1H3,(H,25,28)/t17-,18-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The MAO-A inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound ...				US Patent US10968213 (2021)
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM244006 (5-((1R,2R)-2-((1- acetylpiperidin-4- yl)amino)cycl...) Show SMILES CC(=O)N1CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1 |r| Show InChI InChI=1S/C21H29F2N3O2S/c1-13(27)26-8-4-16(5-9-26)24-18-11-17(18)19-10-14(12-29-19)20(28)25-15-2-6-21(22,23)7-3-15/h10,12,15-18,24H,2-9,11H2,1H3,(H,25,28)/t17-,18-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	25
Takeda Pharmaceutical Company Limited US Patent					Assay Description A test compound dissolved in DMSO was added to a reaction solution (100 mM HEPES (pH 7.5), 5% glycerol) containing MAO-A enzyme (Sigma-Aldrich Co. LL...				US Patent US9718814 (2017) BindingDB Entry DOI: 10.7270/Q21838J9
					More data for this Ligand-Target Pair