BDBM256688 US10053456, 67::US10414761, Example 67::US10968213, Example 67::US9487511, 67::US9718814, 67

SMILES: Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NC1CCOCC1

InChI Key: InChIKey=YMULIXZFUBPIGR-UHFFFAOYSA-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 = 256688   

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
GST-Lysine-specific histone demethylase 1A (LSD1) (Homo sapiens (Human))	BDBM256688 (US10053456, 67 | US10414761, Example 67 | US109682...) Show SMILES Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NC1CCOCC1 Show InChI InChI=1S/C20H28F2N2O2S/c1-12-15(19(25)24-13-2-6-20(21,22)7-3-13)11-18(27-12)16-10-17(16)23-14-4-8-26-9-5-14/h11,13-14,16-17,23H,2-10H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank 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 US9487511 (2016) BindingDB Entry DOI: 10.7270/Q2V123Q4
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM256688 (US10053456, 67 | US10414761, Example 67 | US109682...) Show SMILES Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NC1CCOCC1 Show InChI InChI=1S/C20H28F2N2O2S/c1-12-15(19(25)24-13-2-6-20(21,22)7-3-13)11-18(27-12)16-10-17(16)23-14-4-8-26-9-5-14/h11,13-14,16-17,23H,2-10H2,1H3,(H,24,25)	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))	BDBM256688 (US10053456, 67 | US10414761, Example 67 | US109682...) Show SMILES Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NC1CCOCC1 Show InChI InChI=1S/C20H28F2N2O2S/c1-12-15(19(25)24-13-2-6-20(21,22)7-3-13)11-18(27-12)16-10-17(16)23-14-4-8-26-9-5-14/h11,13-14,16-17,23H,2-10H2,1H3,(H,24,25)	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 US9487511 (2016) BindingDB Entry DOI: 10.7270/Q2V123Q4
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM256688 (US10053456, 67 | US10414761, Example 67 | US109682...) Show SMILES Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NC1CCOCC1 Show InChI InChI=1S/C20H28F2N2O2S/c1-12-15(19(25)24-13-2-6-20(21,22)7-3-13)11-18(27-12)16-10-17(16)23-14-4-8-26-9-5-14/h11,13-14,16-17,23H,2-10H2,1H3,(H,24,25)	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) A (Homo sapiens (Human))	BDBM256688 (US10053456, 67 | US10414761, Example 67 | US109682...) Show SMILES Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NC1CCOCC1 Show InChI InChI=1S/C20H28F2N2O2S/c1-12-15(19(25)24-13-2-6-20(21,22)7-3-13)11-18(27-12)16-10-17(16)23-14-4-8-26-9-5-14/h11,13-14,16-17,23H,2-10H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.60E+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) 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))	BDBM256688 (US10053456, 67 | US10414761, Example 67 | US109682...) Show SMILES Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NC1CCOCC1 Show InChI InChI=1S/C20H28F2N2O2S/c1-12-15(19(25)24-13-2-6-20(21,22)7-3-13)11-18(27-12)16-10-17(16)23-14-4-8-26-9-5-14/h11,13-14,16-17,23H,2-10H2,1H3,(H,24,25)	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))	BDBM256688 (US10053456, 67 | US10414761, Example 67 | US109682...) Show SMILES Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NC1CCOCC1 Show InChI InChI=1S/C20H28F2N2O2S/c1-12-15(19(25)24-13-2-6-20(21,22)7-3-13)11-18(27-12)16-10-17(16)23-14-4-8-26-9-5-14/h11,13-14,16-17,23H,2-10H2,1H3,(H,24,25)	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))	BDBM256688 (US10053456, 67 | US10414761, Example 67 | US109682...) Show SMILES Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NC1CCOCC1 Show InChI InChI=1S/C20H28F2N2O2S/c1-12-15(19(25)24-13-2-6-20(21,22)7-3-13)11-18(27-12)16-10-17(16)23-14-4-8-26-9-5-14/h11,13-14,16-17,23H,2-10H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.60E+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))	BDBM256688 (US10053456, 67 | US10414761, Example 67 | US109682...) Show SMILES Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NC1CCOCC1 Show InChI InChI=1S/C20H28F2N2O2S/c1-12-15(19(25)24-13-2-6-20(21,22)7-3-13)11-18(27-12)16-10-17(16)23-14-4-8-26-9-5-14/h11,13-14,16-17,23H,2-10H2,1H3,(H,24,25)	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))	BDBM256688 (US10053456, 67 | US10414761, Example 67 | US109682...) Show SMILES Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NC1CCOCC1 Show InChI InChI=1S/C20H28F2N2O2S/c1-12-15(19(25)24-13-2-6-20(21,22)7-3-13)11-18(27-12)16-10-17(16)23-14-4-8-26-9-5-14/h11,13-14,16-17,23H,2-10H2,1H3,(H,24,25)	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))	BDBM256688 (US10053456, 67 | US10414761, Example 67 | US109682...) Show SMILES Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NC1CCOCC1 Show InChI InChI=1S/C20H28F2N2O2S/c1-12-15(19(25)24-13-2-6-20(21,22)7-3-13)11-18(27-12)16-10-17(16)23-14-4-8-26-9-5-14/h11,13-14,16-17,23H,2-10H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.60E+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))	BDBM256688 (US10053456, 67 | US10414761, Example 67 | US109682...) Show SMILES Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NC1CCOCC1 Show InChI InChI=1S/C20H28F2N2O2S/c1-12-15(19(25)24-13-2-6-20(21,22)7-3-13)11-18(27-12)16-10-17(16)23-14-4-8-26-9-5-14/h11,13-14,16-17,23H,2-10H2,1H3,(H,24,25)	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))	BDBM256688 (US10053456, 67 | US10414761, Example 67 | US109682...) Show SMILES Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NC1CCOCC1 Show InChI InChI=1S/C20H28F2N2O2S/c1-12-15(19(25)24-13-2-6-20(21,22)7-3-13)11-18(27-12)16-10-17(16)23-14-4-8-26-9-5-14/h11,13-14,16-17,23H,2-10H2,1H3,(H,24,25)	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))	BDBM256688 (US10053456, 67 | US10414761, Example 67 | US109682...) Show SMILES Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NC1CCOCC1 Show InChI InChI=1S/C20H28F2N2O2S/c1-12-15(19(25)24-13-2-6-20(21,22)7-3-13)11-18(27-12)16-10-17(16)23-14-4-8-26-9-5-14/h11,13-14,16-17,23H,2-10H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.60E+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))	BDBM256688 (US10053456, 67 | US10414761, Example 67 | US109682...) Show SMILES Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NC1CCOCC1 Show InChI InChI=1S/C20H28F2N2O2S/c1-12-15(19(25)24-13-2-6-20(21,22)7-3-13)11-18(27-12)16-10-17(16)23-14-4-8-26-9-5-14/h11,13-14,16-17,23H,2-10H2,1H3,(H,24,25)	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))	BDBM256688 (US10053456, 67 | US10414761, Example 67 | US109682...) Show SMILES Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NC1CCOCC1 Show InChI InChI=1S/C20H28F2N2O2S/c1-12-15(19(25)24-13-2-6-20(21,22)7-3-13)11-18(27-12)16-10-17(16)23-14-4-8-26-9-5-14/h11,13-14,16-17,23H,2-10H2,1H3,(H,24,25)	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))	BDBM256688 (US10053456, 67 | US10414761, Example 67 | US109682...) Show SMILES Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NC1CCOCC1 Show InChI InChI=1S/C20H28F2N2O2S/c1-12-15(19(25)24-13-2-6-20(21,22)7-3-13)11-18(27-12)16-10-17(16)23-14-4-8-26-9-5-14/h11,13-14,16-17,23H,2-10H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.60E+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))	BDBM256688 (US10053456, 67 | US10414761, Example 67 | US109682...) Show SMILES Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NC1CCOCC1 Show InChI InChI=1S/C20H28F2N2O2S/c1-12-15(19(25)24-13-2-6-20(21,22)7-3-13)11-18(27-12)16-10-17(16)23-14-4-8-26-9-5-14/h11,13-14,16-17,23H,2-10H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.60E+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