Identical Ligands in BindingDB

Found 5 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))	BDBM19188 (7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumar...) Show SMILES CNCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 Show InChI InChI=1S/C18H16ClNO3/c1-20-10-13-8-18(21)23-17-9-15(5-6-16(13)17)22-11-12-3-2-4-14(19)7-12/h2-9,20H,10-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	100	-40.0	n/a	n/a	n/a	n/a	n/a	7.5	25
University of Pavia					Assay Description MAO B activities were determined spectrophotometrically at 250 nm using benzylamine as substrate. Competitive Ki values were determined by measuring ...				J Med Chem 50: 5848-5852 (2007) Article DOI: 10.1021/jm070677y BindingDB Entry DOI: 10.7270/Q2DN43B4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B   (461/519 = 89%)† (Rattus norvegicus (rat))	BDBM19188 (7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumar...) Show SMILES CNCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 Show InChI InChI=1S/C18H16ClNO3/c1-20-10-13-8-18(21)23-17-9-15(5-6-16(13)17)22-11-12-3-2-4-14(19)7-12/h2-9,20H,10-11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bari Curated by ChEMBL					Assay Description Inhibition of MAO-B from Wistar rat brain by radioenzymatic assay in presence of human platelet rich plasma				J Med Chem 52: 6685-706 (2009) Article DOI: 10.1021/jm9010127 BindingDB Entry DOI: 10.7270/Q2DR2VJ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B   (461/519 = 89%)† (Rattus norvegicus (rat))	BDBM19188 (7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumar...) Show SMILES CNCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 Show InChI InChI=1S/C18H16ClNO3/c1-20-10-13-8-18(21)23-17-9-15(5-6-16(13)17)22-11-12-3-2-4-14(19)7-12/h2-9,20H,10-11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari "Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat MAO-B using Kynuramine as substrate assessed as formation of 4-hydroxyquinoline preincubated for 5 mins prior to sub...				Eur J Med Chem 70: 723-39 (2013) Article DOI: 10.1016/j.ejmech.2013.09.034 BindingDB Entry DOI: 10.7270/Q2WM1HCD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B   (461/519 = 89%)† (Rattus norvegicus (rat))	BDBM19188 (7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumar...) Show SMILES CNCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 Show InChI InChI=1S/C18H16ClNO3/c1-20-10-13-8-18(21)23-17-9-15(5-6-16(13)17)22-11-12-3-2-4-14(19)7-12/h2-9,20H,10-11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bari Curated by ChEMBL					Assay Description Inhibition of MAO-B from Wistar rat brain by radioenzymatic assay				J Med Chem 52: 6685-706 (2009) Article DOI: 10.1021/jm9010127 BindingDB Entry DOI: 10.7270/Q2DR2VJ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B   (461/519 = 89%)† (Rattus norvegicus (rat))	BDBM19188 (7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumar...) Show SMILES CNCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 Show InChI InChI=1S/C18H16ClNO3/c1-20-10-13-8-18(21)23-17-9-15(5-6-16(13)17)22-11-12-3-2-4-14(19)7-12/h2-9,20H,10-11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat MAO-B in brain mitochondrial homogenate assessed as 4-hydroxyquinoline by spectrophotometric method				Eur J Med Chem 89: 98-105 (2014) Article DOI: 10.1016/j.ejmech.2014.10.029 BindingDB Entry DOI: 10.7270/Q2FX7C3H
					More data for this Ligand-Target Pair				3D Structure (crystal)

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