BDBM243419 N-(2-methyl-1,3- thiazol-5-yl)-5- ((1R,2R)-2- ((tetrahydro-2H- pyran-4-ylmethyl)- amino)cyclopropyl)- thiophene-3- carboxamide::US10053456, 53::US10414761, Example 53::US10968213, Example 53::US9718814, 53::US9920047, 53

SMILES: Cc1ncc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)s1

InChI Key: InChIKey=GWIDHHJFQPFMDV-HUUCEWRRSA-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 = 243419   

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))	BDBM243419 (N-(2-methyl-1,3- thiazol-5-yl)-5- ((1R,2R)-2- ((te...) Show SMILES Cc1ncc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)s1 |r| Show InChI InChI=1S/C18H23N3O2S2/c1-11-19-9-17(25-11)21-18(22)13-6-16(24-10-13)14-7-15(14)20-8-12-2-4-23-5-3-12/h6,9-10,12,14-15,20H,2-5,7-8H2,1H3,(H,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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM243419 (N-(2-methyl-1,3- thiazol-5-yl)-5- ((1R,2R)-2- ((te...) Show SMILES Cc1ncc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)s1 |r| Show InChI InChI=1S/C18H23N3O2S2/c1-11-19-9-17(25-11)21-18(22)13-6-16(24-10-13)14-7-15(14)20-8-12-2-4-23-5-3-12/h6,9-10,12,14-15,20H,2-5,7-8H2,1H3,(H,21,22)/t14-,15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.60E+4	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))	BDBM243419 (N-(2-methyl-1,3- thiazol-5-yl)-5- ((1R,2R)-2- ((te...) Show SMILES Cc1ncc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)s1 |r| Show InChI InChI=1S/C18H23N3O2S2/c1-11-19-9-17(25-11)21-18(22)13-6-16(24-10-13)14-7-15(14)20-8-12-2-4-23-5-3-12/h6,9-10,12,14-15,20H,2-5,7-8H2,1H3,(H,21,22)/t14-,15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.60E+4	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))	BDBM243419 (N-(2-methyl-1,3- thiazol-5-yl)-5- ((1R,2R)-2- ((te...) Show SMILES Cc1ncc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)s1 |r| Show InChI InChI=1S/C18H23N3O2S2/c1-11-19-9-17(25-11)21-18(22)13-6-16(24-10-13)14-7-15(14)20-8-12-2-4-23-5-3-12/h6,9-10,12,14-15,20H,2-5,7-8H2,1H3,(H,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
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM243419 (N-(2-methyl-1,3- thiazol-5-yl)-5- ((1R,2R)-2- ((te...) Show SMILES Cc1ncc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)s1 |r| Show InChI InChI=1S/C18H23N3O2S2/c1-11-19-9-17(25-11)21-18(22)13-6-16(24-10-13)14-7-15(14)20-8-12-2-4-23-5-3-12/h6,9-10,12,14-15,20H,2-5,7-8H2,1H3,(H,21,22)/t14-,15-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.10E+4	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))	BDBM243419 (N-(2-methyl-1,3- thiazol-5-yl)-5- ((1R,2R)-2- ((te...) Show SMILES Cc1ncc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)s1 |r| Show InChI InChI=1S/C18H23N3O2S2/c1-11-19-9-17(25-11)21-18(22)13-6-16(24-10-13)14-7-15(14)20-8-12-2-4-23-5-3-12/h6,9-10,12,14-15,20H,2-5,7-8H2,1H3,(H,21,22)/t14-,15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.60E+4	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))	BDBM243419 (N-(2-methyl-1,3- thiazol-5-yl)-5- ((1R,2R)-2- ((te...) Show SMILES Cc1ncc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)s1 |r| Show InChI InChI=1S/C18H23N3O2S2/c1-11-19-9-17(25-11)21-18(22)13-6-16(24-10-13)14-7-15(14)20-8-12-2-4-23-5-3-12/h6,9-10,12,14-15,20H,2-5,7-8H2,1H3,(H,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
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM243419 (N-(2-methyl-1,3- thiazol-5-yl)-5- ((1R,2R)-2- ((te...) Show SMILES Cc1ncc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)s1 |r| Show InChI InChI=1S/C18H23N3O2S2/c1-11-19-9-17(25-11)21-18(22)13-6-16(24-10-13)14-7-15(14)20-8-12-2-4-23-5-3-12/h6,9-10,12,14-15,20H,2-5,7-8H2,1H3,(H,21,22)/t14-,15-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.10E+4	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))	BDBM243419 (N-(2-methyl-1,3- thiazol-5-yl)-5- ((1R,2R)-2- ((te...) Show SMILES Cc1ncc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)s1 |r| Show InChI InChI=1S/C18H23N3O2S2/c1-11-19-9-17(25-11)21-18(22)13-6-16(24-10-13)14-7-15(14)20-8-12-2-4-23-5-3-12/h6,9-10,12,14-15,20H,2-5,7-8H2,1H3,(H,21,22)/t14-,15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.60E+4	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))	BDBM243419 (N-(2-methyl-1,3- thiazol-5-yl)-5- ((1R,2R)-2- ((te...) Show SMILES Cc1ncc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)s1 |r| Show InChI InChI=1S/C18H23N3O2S2/c1-11-19-9-17(25-11)21-18(22)13-6-16(24-10-13)14-7-15(14)20-8-12-2-4-23-5-3-12/h6,9-10,12,14-15,20H,2-5,7-8H2,1H3,(H,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
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM243419 (N-(2-methyl-1,3- thiazol-5-yl)-5- ((1R,2R)-2- ((te...) Show SMILES Cc1ncc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)s1 |r| Show InChI InChI=1S/C18H23N3O2S2/c1-11-19-9-17(25-11)21-18(22)13-6-16(24-10-13)14-7-15(14)20-8-12-2-4-23-5-3-12/h6,9-10,12,14-15,20H,2-5,7-8H2,1H3,(H,21,22)/t14-,15-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.10E+4	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))	BDBM243419 (N-(2-methyl-1,3- thiazol-5-yl)-5- ((1R,2R)-2- ((te...) Show SMILES Cc1ncc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)s1 |r| Show InChI InChI=1S/C18H23N3O2S2/c1-11-19-9-17(25-11)21-18(22)13-6-16(24-10-13)14-7-15(14)20-8-12-2-4-23-5-3-12/h6,9-10,12,14-15,20H,2-5,7-8H2,1H3,(H,21,22)/t14-,15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.60E+4	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))	BDBM243419 (N-(2-methyl-1,3- thiazol-5-yl)-5- ((1R,2R)-2- ((te...) Show SMILES Cc1ncc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)s1 |r| Show InChI InChI=1S/C18H23N3O2S2/c1-11-19-9-17(25-11)21-18(22)13-6-16(24-10-13)14-7-15(14)20-8-12-2-4-23-5-3-12/h6,9-10,12,14-15,20H,2-5,7-8H2,1H3,(H,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
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM243419 (N-(2-methyl-1,3- thiazol-5-yl)-5- ((1R,2R)-2- ((te...) Show SMILES Cc1ncc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)s1 |r| Show InChI InChI=1S/C18H23N3O2S2/c1-11-19-9-17(25-11)21-18(22)13-6-16(24-10-13)14-7-15(14)20-8-12-2-4-23-5-3-12/h6,9-10,12,14-15,20H,2-5,7-8H2,1H3,(H,21,22)/t14-,15-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.10E+4	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))	BDBM243419 (N-(2-methyl-1,3- thiazol-5-yl)-5- ((1R,2R)-2- ((te...) Show SMILES Cc1ncc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)s1 |r| Show InChI InChI=1S/C18H23N3O2S2/c1-11-19-9-17(25-11)21-18(22)13-6-16(24-10-13)14-7-15(14)20-8-12-2-4-23-5-3-12/h6,9-10,12,14-15,20H,2-5,7-8H2,1H3,(H,21,22)/t14-,15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.60E+4	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))	BDBM243419 (N-(2-methyl-1,3- thiazol-5-yl)-5- ((1R,2R)-2- ((te...) Show SMILES Cc1ncc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)s1 |r| Show InChI InChI=1S/C18H23N3O2S2/c1-11-19-9-17(25-11)21-18(22)13-6-16(24-10-13)14-7-15(14)20-8-12-2-4-23-5-3-12/h6,9-10,12,14-15,20H,2-5,7-8H2,1H3,(H,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 US10968213 (2021)
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM243419 (N-(2-methyl-1,3- thiazol-5-yl)-5- ((1R,2R)-2- ((te...) Show SMILES Cc1ncc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)s1 |r| Show InChI InChI=1S/C18H23N3O2S2/c1-11-19-9-17(25-11)21-18(22)13-6-16(24-10-13)14-7-15(14)20-8-12-2-4-23-5-3-12/h6,9-10,12,14-15,20H,2-5,7-8H2,1H3,(H,21,22)/t14-,15-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.10E+4	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))	BDBM243419 (N-(2-methyl-1,3- thiazol-5-yl)-5- ((1R,2R)-2- ((te...) Show SMILES Cc1ncc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)s1 |r| Show InChI InChI=1S/C18H23N3O2S2/c1-11-19-9-17(25-11)21-18(22)13-6-16(24-10-13)14-7-15(14)20-8-12-2-4-23-5-3-12/h6,9-10,12,14-15,20H,2-5,7-8H2,1H3,(H,21,22)/t14-,15-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.10E+4	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