null

SMILES: Cc1nnc(NC(=O)c2cc(cc3ccccc23)C2CC2N)s1

InChI Key: InChIKey=QHTKQUXPILSSLX-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 256636   

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
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833] (Homo sapiens (Human))	BDBM256636 (US10053456, 15 | US10414761, Example 15 | US109682...) Show SMILES Cc1nnc(NC(=O)c2cc(cc3ccccc23)C2CC2N)s1 Show InChI InChI=1S/C17H16N4OS/c1-9-20-21-17(23-9)19-16(22)14-7-11(13-8-15(13)18)6-10-4-2-3-5-12(10)14/h2-7,13,15H,8,18H2,1H3,(H,19,21,22)	PDB UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	730	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 US9487511 (2016) BindingDB Entry DOI: 10.7270/Q2V123Q4
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM256636 (US10053456, 15 | US10414761, Example 15 | US109682...) Show SMILES Cc1nnc(NC(=O)c2cc(cc3ccccc23)C2CC2N)s1 Show InChI InChI=1S/C17H16N4OS/c1-9-20-21-17(23-9)19-16(22)14-7-11(13-8-15(13)18)6-10-4-2-3-5-12(10)14/h2-7,13,15H,8,18H2,1H3,(H,19,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.60E+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))	BDBM256636 (US10053456, 15 | US10414761, Example 15 | US109682...) Show SMILES Cc1nnc(NC(=O)c2cc(cc3ccccc23)C2CC2N)s1 Show InChI InChI=1S/C17H16N4OS/c1-9-20-21-17(23-9)19-16(22)14-7-11(13-8-15(13)18)6-10-4-2-3-5-12(10)14/h2-7,13,15H,8,18H2,1H3,(H,19,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.60E+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 US9487511 (2016) BindingDB Entry DOI: 10.7270/Q2V123Q4
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM256636 (US10053456, 15 | US10414761, Example 15 | US109682...) Show SMILES Cc1nnc(NC(=O)c2cc(cc3ccccc23)C2CC2N)s1 Show InChI InChI=1S/C17H16N4OS/c1-9-20-21-17(23-9)19-16(22)14-7-11(13-8-15(13)18)6-10-4-2-3-5-12(10)14/h2-7,13,15H,8,18H2,1H3,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	730	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] A (Homo sapiens (Human))	BDBM256636 (US10053456, 15 | US10414761, Example 15 | US109682...) Show SMILES Cc1nnc(NC(=O)c2cc(cc3ccccc23)C2CC2N)s1 Show InChI InChI=1S/C17H16N4OS/c1-9-20-21-17(23-9)19-16(22)14-7-11(13-8-15(13)18)6-10-4-2-3-5-12(10)14/h2-7,13,15H,8,18H2,1H3,(H,19,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.90E+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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM256636 (US10053456, 15 | US10414761, Example 15 | US109682...) Show SMILES Cc1nnc(NC(=O)c2cc(cc3ccccc23)C2CC2N)s1 Show InChI InChI=1S/C17H16N4OS/c1-9-20-21-17(23-9)19-16(22)14-7-11(13-8-15(13)18)6-10-4-2-3-5-12(10)14/h2-7,13,15H,8,18H2,1H3,(H,19,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.60E+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))	BDBM256636 (US10053456, 15 | US10414761, Example 15 | US109682...) Show SMILES Cc1nnc(NC(=O)c2cc(cc3ccccc23)C2CC2N)s1 Show InChI InChI=1S/C17H16N4OS/c1-9-20-21-17(23-9)19-16(22)14-7-11(13-8-15(13)18)6-10-4-2-3-5-12(10)14/h2-7,13,15H,8,18H2,1H3,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	730	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))	BDBM256636 (US10053456, 15 | US10414761, Example 15 | US109682...) Show SMILES Cc1nnc(NC(=O)c2cc(cc3ccccc23)C2CC2N)s1 Show InChI InChI=1S/C17H16N4OS/c1-9-20-21-17(23-9)19-16(22)14-7-11(13-8-15(13)18)6-10-4-2-3-5-12(10)14/h2-7,13,15H,8,18H2,1H3,(H,19,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.90E+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))	BDBM256636 (US10053456, 15 | US10414761, Example 15 | US109682...) Show SMILES Cc1nnc(NC(=O)c2cc(cc3ccccc23)C2CC2N)s1 Show InChI InChI=1S/C17H16N4OS/c1-9-20-21-17(23-9)19-16(22)14-7-11(13-8-15(13)18)6-10-4-2-3-5-12(10)14/h2-7,13,15H,8,18H2,1H3,(H,19,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.60E+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))	BDBM256636 (US10053456, 15 | US10414761, Example 15 | US109682...) Show SMILES Cc1nnc(NC(=O)c2cc(cc3ccccc23)C2CC2N)s1 Show InChI InChI=1S/C17H16N4OS/c1-9-20-21-17(23-9)19-16(22)14-7-11(13-8-15(13)18)6-10-4-2-3-5-12(10)14/h2-7,13,15H,8,18H2,1H3,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	730	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))	BDBM256636 (US10053456, 15 | US10414761, Example 15 | US109682...) Show SMILES Cc1nnc(NC(=O)c2cc(cc3ccccc23)C2CC2N)s1 Show InChI InChI=1S/C17H16N4OS/c1-9-20-21-17(23-9)19-16(22)14-7-11(13-8-15(13)18)6-10-4-2-3-5-12(10)14/h2-7,13,15H,8,18H2,1H3,(H,19,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.90E+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))	BDBM256636 (US10053456, 15 | US10414761, Example 15 | US109682...) Show SMILES Cc1nnc(NC(=O)c2cc(cc3ccccc23)C2CC2N)s1 Show InChI InChI=1S/C17H16N4OS/c1-9-20-21-17(23-9)19-16(22)14-7-11(13-8-15(13)18)6-10-4-2-3-5-12(10)14/h2-7,13,15H,8,18H2,1H3,(H,19,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.60E+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))	BDBM256636 (US10053456, 15 | US10414761, Example 15 | US109682...) Show SMILES Cc1nnc(NC(=O)c2cc(cc3ccccc23)C2CC2N)s1 Show InChI InChI=1S/C17H16N4OS/c1-9-20-21-17(23-9)19-16(22)14-7-11(13-8-15(13)18)6-10-4-2-3-5-12(10)14/h2-7,13,15H,8,18H2,1H3,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	730	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))	BDBM256636 (US10053456, 15 | US10414761, Example 15 | US109682...) Show SMILES Cc1nnc(NC(=O)c2cc(cc3ccccc23)C2CC2N)s1 Show InChI InChI=1S/C17H16N4OS/c1-9-20-21-17(23-9)19-16(22)14-7-11(13-8-15(13)18)6-10-4-2-3-5-12(10)14/h2-7,13,15H,8,18H2,1H3,(H,19,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.90E+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))	BDBM256636 (US10053456, 15 | US10414761, Example 15 | US109682...) Show SMILES Cc1nnc(NC(=O)c2cc(cc3ccccc23)C2CC2N)s1 Show InChI InChI=1S/C17H16N4OS/c1-9-20-21-17(23-9)19-16(22)14-7-11(13-8-15(13)18)6-10-4-2-3-5-12(10)14/h2-7,13,15H,8,18H2,1H3,(H,19,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.60E+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))	BDBM256636 (US10053456, 15 | US10414761, Example 15 | US109682...) Show SMILES Cc1nnc(NC(=O)c2cc(cc3ccccc23)C2CC2N)s1 Show InChI InChI=1S/C17H16N4OS/c1-9-20-21-17(23-9)19-16(22)14-7-11(13-8-15(13)18)6-10-4-2-3-5-12(10)14/h2-7,13,15H,8,18H2,1H3,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	730	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))	BDBM256636 (US10053456, 15 | US10414761, Example 15 | US109682...) Show SMILES Cc1nnc(NC(=O)c2cc(cc3ccccc23)C2CC2N)s1 Show InChI InChI=1S/C17H16N4OS/c1-9-20-21-17(23-9)19-16(22)14-7-11(13-8-15(13)18)6-10-4-2-3-5-12(10)14/h2-7,13,15H,8,18H2,1H3,(H,19,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.90E+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))	BDBM256636 (US10053456, 15 | US10414761, Example 15 | US109682...) Show SMILES Cc1nnc(NC(=O)c2cc(cc3ccccc23)C2CC2N)s1 Show InChI InChI=1S/C17H16N4OS/c1-9-20-21-17(23-9)19-16(22)14-7-11(13-8-15(13)18)6-10-4-2-3-5-12(10)14/h2-7,13,15H,8,18H2,1H3,(H,19,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.60E+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))	BDBM256636 (US10053456, 15 | US10414761, Example 15 | US109682...) Show SMILES Cc1nnc(NC(=O)c2cc(cc3ccccc23)C2CC2N)s1 Show InChI InChI=1S/C17H16N4OS/c1-9-20-21-17(23-9)19-16(22)14-7-11(13-8-15(13)18)6-10-4-2-3-5-12(10)14/h2-7,13,15H,8,18H2,1H3,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	730	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))	BDBM256636 (US10053456, 15 | US10414761, Example 15 | US109682...) Show SMILES Cc1nnc(NC(=O)c2cc(cc3ccccc23)C2CC2N)s1 Show InChI InChI=1S/C17H16N4OS/c1-9-20-21-17(23-9)19-16(22)14-7-11(13-8-15(13)18)6-10-4-2-3-5-12(10)14/h2-7,13,15H,8,18H2,1H3,(H,19,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.90E+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))	BDBM256636 (US10053456, 15 | US10414761, Example 15 | US109682...) Show SMILES Cc1nnc(NC(=O)c2cc(cc3ccccc23)C2CC2N)s1 Show InChI InChI=1S/C17H16N4OS/c1-9-20-21-17(23-9)19-16(22)14-7-11(13-8-15(13)18)6-10-4-2-3-5-12(10)14/h2-7,13,15H,8,18H2,1H3,(H,19,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.90E+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 US9487511 (2016) BindingDB Entry DOI: 10.7270/Q2V123Q4
					More data for this Ligand-Target Pair