Identical Ligands in BindingDB

Found 6 hits Enzyme Inhibition Constant Data   

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
Amine oxidase [flavin-containing] B   (520/520 = 100%)† (Homo sapiens (Human))	BDBM11021 ((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8] Show InChI InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	800	-34.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Emory University					Assay Description MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...				J Biol Chem 280: 15761-6 (2005) Article DOI: 10.1074/jbc.M500949200 BindingDB Entry DOI: 10.7270/Q2DR2SP5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B   (520/520 = 100%)† (Homo sapiens (Human))	BDBM11021 ((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8] Show InChI InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.30E+3	-32.2	n/a	n/a	n/a	n/a	n/a	7.5	25
Emory University					Assay Description MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...				J Biol Chem 280: 15761-6 (2005) Article DOI: 10.1074/jbc.M500949200 BindingDB Entry DOI: 10.7270/Q2DR2SP5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B   (461/518 = 89%)† (Mus musculus)	BDBM11021 ((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8] Show InChI InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	2.40E+3	-32.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Emory University					Assay Description MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...				J Biol Chem 280: 15761-6 (2005) Article DOI: 10.1074/jbc.M500949200 BindingDB Entry DOI: 10.7270/Q2DR2SP5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B   (461/519 = 89%)† (Rattus norvegicus (rat))	BDBM11021 ((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8] Show InChI InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	5.00E+3	-30.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Emory University					Assay Description MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...				J Biol Chem 280: 15761-6 (2005) Article DOI: 10.1074/jbc.M500949200 BindingDB Entry DOI: 10.7270/Q2DR2SP5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B [I199F]   (519/520 > 99%)† (Homo sapiens (Human))	BDBM11021 ((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8] Show InChI InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University					Assay Description MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...				J Biol Chem 280: 15761-6 (2005) Article DOI: 10.1074/jbc.M500949200 BindingDB Entry DOI: 10.7270/Q2DR2SP5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B   (476/520 = 92%)† (Bos taurus)	BDBM11021 ((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8] Show InChI InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	>1.00E+6	>-17.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Emory University					Assay Description MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...				J Biol Chem 280: 15761-6 (2005) Article DOI: 10.1074/jbc.M500949200 BindingDB Entry DOI: 10.7270/Q2DR2SP5
					More data for this Ligand-Target Pair				3D Structure (crystal)

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