Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 9417   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM385387 ((E)-3-Fluoro-2-[[2-(4-methoxy-1-piperidyl)pyrimidi...) Show SMILES COC1CCN(CC1)c1ncc(OC\C(CN)=C\F)cn1 Show InChI InChI=1S/C14H21FN4O2/c1-20-12-2-4-19(5-3-12)14-17-8-13(9-18-14)21-10-11(6-15)7-16/h6,8-9,12H,2-5,7,10,16H2,1H3/b11-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
ELI LILLY AND COMPANY US Patent					Assay Description Amine oxidase activity of recombinant SSAO, MAOa, and MAOb isoforms are measured using the MAO-Glo™ assay kit from Promega (V1402). Test compounds (w...				US Patent US10793552 (2020) BindingDB Entry DOI: 10.7270/Q22B922T
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM385388 ((E)-3-Fluoro-2-[[2-[(3S)-3-methoxypyrrolidin-1-yl]...) Show SMILES CO[C@H]1CCN(C1)c1ncc(OC\C(CN)=C\F)cn1 |r| Show InChI InChI=1S/C13H19FN4O2/c1-19-11-2-3-18(8-11)13-16-6-12(7-17-13)20-9-10(4-14)5-15/h4,6-7,11H,2-3,5,8-9,15H2,1H3/b10-4+/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
ELI LILLY AND COMPANY US Patent					Assay Description Amine oxidase activity of recombinant SSAO, MAOa, and MAOb isoforms are measured using the MAO-Glo™ assay kit from Promega (V1402). Test compounds (w...				US Patent US10793552 (2020) BindingDB Entry DOI: 10.7270/Q22B922T
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM385389 ((3 S)-1-[5-[(E)-2-(Aminomethyl)-3-fluoro-allyloxy]...) Show SMILES NC\C(COc1cnc(nc1)N1CC[C@H](O)C1)=C/F |r| Show InChI InChI=1S/C12H17FN4O2/c13-3-9(4-14)8-19-11-5-15-12(16-6-11)17-2-1-10(18)7-17/h3,5-6,10,18H,1-2,4,7-8,14H2/b9-3+/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
ELI LILLY AND COMPANY US Patent					Assay Description Amine oxidase activity of recombinant SSAO, MAOa, and MAOb isoforms are measured using the MAO-Glo™ assay kit from Promega (V1402). Test compounds (w...				US Patent US10793552 (2020) BindingDB Entry DOI: 10.7270/Q22B922T
					More data for this Ligand-Target Pair