Identical Ligands in BindingDB

Found 4 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))	BDBM10799 ((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...) Show SMILES Oc1ccc2CC[C@@H](NCC#C)c2c1 |r| Show InChI InChI=1S/C12H13NO/c1-2-7-13-12-6-4-9-3-5-10(14)8-11(9)12/h1,3,5,8,12-14H,4,6-7H2/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.70E+4	-27.2	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 at 316 nm and 250 nm using kynuramine and benzylamine as substrates, respectively. ...				J Med Chem 47: 1760-6 (2004) Article DOI: 10.1021/jm0310885 BindingDB Entry DOI: 10.7270/Q2P8494M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B   (520/520 = 100%)† (Homo sapiens (Human))	BDBM10799 ((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...) Show SMILES Oc1ccc2CC[C@@H](NCC#C)c2c1 |r| Show InChI InChI=1S/C12H13NO/c1-2-7-13-12-6-4-9-3-5-10(14)8-11(9)12/h1,3,5,8,12-14H,4,6-7H2/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kadir Has University Curated by ChEMBL					Assay Description Inhibition constant against human recombinant Monoamine oxidase-B				Bioorg Med Chem Lett 15: 4438-46 (2005) Article DOI: 10.1016/j.bmcl.2005.07.043 BindingDB Entry DOI: 10.7270/Q2KW5FKR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B   (461/519 = 89%)† (Rattus norvegicus (rat))	BDBM10799 ((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...) Show SMILES Oc1ccc2CC[C@@H](NCC#C)c2c1 |r| Show InChI InChI=1S/C12H13NO/c1-2-7-13-12-6-4-9-3-5-10(14)8-11(9)12/h1,3,5,8,12-14H,4,6-7H2/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Teva Pharmaceutical Industries					Assay Description Inhibition of MAO activity was determined by a radiometric procedure from Tipton and Youdim. Homogenized rat brain was used as the source of enzymes....				J Med Chem 45: 5260-79 (2002) Article DOI: 10.1021/jm020120c BindingDB Entry DOI: 10.7270/Q2GQ6W07
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B   (461/519 = 89%)† (Rattus norvegicus (rat))	BDBM10798 (3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-5-ol ...) Show SMILES Oc1ccc2CCC(NCC#C)c2c1 Show InChI InChI=1S/C12H13NO/c1-2-7-13-12-6-4-9-3-5-10(14)8-11(9)12/h1,3,5,8,12-14H,4,6-7H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Teva Pharmaceutical Industries					Assay Description Inhibition of MAO activity was determined by a radiometric procedure from Tipton and Youdim. Homogenized rat brain was used as the source of enzymes....				J Med Chem 45: 5260-79 (2002) Article DOI: 10.1021/jm020120c BindingDB Entry DOI: 10.7270/Q2GQ6W07
					More data for this Ligand-Target Pair				3D Structure (crystal)

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