BDBM103940 US10399973, Example 7::US8569338, 7::US9035066, 7::US9493457, 7::US9890160, Example 7

SMILES: CC(C)C1N(CCc2nc[nH]c12)C(=O)OCc1cccnc1

InChI Key: InChIKey=BRLXXVFUSZYJNB-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 103940   

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
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM103940 (US10399973, Example 7 | US8569338, 7 | US9035066, ...) Show SMILES CC(C)C1N(CCc2nc[nH]c12)C(=O)OCc1cccnc1 Show InChI InChI=1S/C16H20N4O2/c1-11(2)15-14-13(18-10-19-14)5-7-20(15)16(21)22-9-12-4-3-6-17-8-12/h3-4,6,8,10-11,15H,5,7,9H2,1-2H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	25
Proximagen Ltd. US Patent					Assay Description All assays were performed in room temperature with purified recombinantly expressed human SSAO. The enzyme activity was measured with benzylamine as...				US Patent US8569338 (2013) BindingDB Entry DOI: 10.7270/Q2P849J0
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM103940 (US10399973, Example 7 | US8569338, 7 | US9035066, ...) Show SMILES CC(C)C1N(CCc2nc[nH]c12)C(=O)OCc1cccnc1 Show InChI InChI=1S/C16H20N4O2/c1-11(2)15-14-13(18-10-19-14)5-7-20(15)16(21)22-9-12-4-3-6-17-8-12/h3-4,6,8,10-11,15H,5,7,9H2,1-2H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	7.4	n/a
Proximagen Limited US Patent					Assay Description Briefly, test compounds were dissolved in dimethyl sulfoxide (DMSO) to a concentration of 10 mM. Dose-response measurements were assayed by either cr...				US Patent US9035066 (2015) BindingDB Entry DOI: 10.7270/Q2G15ZKD
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM103940 (US10399973, Example 7 | US8569338, 7 | US9035066, ...) Show SMILES CC(C)C1N(CCc2nc[nH]c12)C(=O)OCc1cccnc1 Show InChI InChI=1S/C16H20N4O2/c1-11(2)15-14-13(18-10-19-14)5-7-20(15)16(21)22-9-12-4-3-6-17-8-12/h3-4,6,8,10-11,15H,5,7,9H2,1-2H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
BENEVOLENTAI CAMBRIDGE LIMITED US Patent					Assay Description All assays were performed in room temperature with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman...				US Patent US10399973 (2019) BindingDB Entry DOI: 10.7270/Q2PR7ZCK
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM103940 (US10399973, Example 7 | US8569338, 7 | US9035066, ...) Show SMILES CC(C)C1N(CCc2nc[nH]c12)C(=O)OCc1cccnc1 Show InChI InChI=1S/C16H20N4O2/c1-11(2)15-14-13(18-10-19-14)5-7-20(15)16(21)22-9-12-4-3-6-17-8-12/h3-4,6,8,10-11,15H,5,7,9H2,1-2H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Astex					Assay Description Briefly, test compounds were dissolved in dimethyl sulfoxide (DMSO) to a concentration of 10 mM. Dose-response measurements were assayed by either cr...				J Med Chem 51: 4986-99 (2008) BindingDB Entry DOI: 10.7270/Q2348NQ7
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM103940 (US10399973, Example 7 | US8569338, 7 | US9035066, ...) Show SMILES CC(C)C1N(CCc2nc[nH]c12)C(=O)OCc1cccnc1 Show InChI InChI=1S/C16H20N4O2/c1-11(2)15-14-13(18-10-19-14)5-7-20(15)16(21)22-9-12-4-3-6-17-8-12/h3-4,6,8,10-11,15H,5,7,9H2,1-2H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	7.4	n/a
Proximagen Limited US Patent					Assay Description Briefly, test compounds were dissolved in dimethyl sulfoxide (DMSO) to a concentration of 10 mM. Dose-response measurements were assayed by either cr...				US Patent US9493457 (2016) BindingDB Entry DOI: 10.7270/Q2MK6BSS
					More data for this Ligand-Target Pair