BDBM50491957 CHEMBL2391742

SMILES: FC(F)(F)c1ccc(COc2ccc3COC(=O)c3c2)cc1

InChI Key: InChIKey=HSTJKFDGUZMVEG-UHFFFAOYSA-N

Data: 3 KI  2 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 = 50491957   

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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50491957 (CHEMBL2391742) Show SMILES FC(F)(F)c1ccc(COc2ccc3COC(=O)c3c2)cc1 Show InChI InChI=1S/C16H11F3O3/c17-16(18,19)12-4-1-10(2-5-12)8-21-13-6-3-11-9-22-15(20)14(11)7-13/h1-7H,8-9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant monoamine oxidase-B using kynuramine as substrate by Morrison equation analysis				Bioorg Med Chem Lett 23: 1269-73 (2013) Article DOI: 10.1016/j.bmcl.2013.01.003 BindingDB Entry DOI: 10.7270/Q2HQ42TM
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50491957 (CHEMBL2391742) Show SMILES FC(F)(F)c1ccc(COc2ccc3COC(=O)c3c2)cc1 Show InChI InChI=1S/C16H11F3O3/c17-16(18,19)12-4-1-10(2-5-12)8-21-13-6-3-11-9-22-15(20)14(11)7-13/h1-7H,8-9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant monoamine oxidase-B using kynuramine as substrate by Cheng and Prusoff equation analysis				Bioorg Med Chem Lett 23: 1269-73 (2013) Article DOI: 10.1016/j.bmcl.2013.01.003 BindingDB Entry DOI: 10.7270/Q2HQ42TM
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50491957 (CHEMBL2391742) Show SMILES FC(F)(F)c1ccc(COc2ccc3COC(=O)c3c2)cc1 Show InChI InChI=1S/C16H11F3O3/c17-16(18,19)12-4-1-10(2-5-12)8-21-13-6-3-11-9-22-15(20)14(11)7-13/h1-7H,8-9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant monoamine oxidase-B using kynuramine as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 23: 1269-73 (2013) Article DOI: 10.1016/j.bmcl.2013.01.003 BindingDB Entry DOI: 10.7270/Q2HQ42TM
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50491957 (CHEMBL2391742) Show SMILES FC(F)(F)c1ccc(COc2ccc3COC(=O)c3c2)cc1 Show InChI InChI=1S/C16H11F3O3/c17-16(18,19)12-4-1-10(2-5-12)8-21-13-6-3-11-9-22-15(20)14(11)7-13/h1-7H,8-9H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	304	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Inhibition of human recombinant monoamine oxidase-A assessed as kynuramine conversion to 6-hydroxyquinoline after 20 mins by fluorescence spectrophot...				Bioorg Med Chem Lett 23: 1269-73 (2013) Article DOI: 10.1016/j.bmcl.2013.01.003 BindingDB Entry DOI: 10.7270/Q2HQ42TM
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50491957 (CHEMBL2391742) Show SMILES FC(F)(F)c1ccc(COc2ccc3COC(=O)c3c2)cc1 Show InChI InChI=1S/C16H11F3O3/c17-16(18,19)12-4-1-10(2-5-12)8-21-13-6-3-11-9-22-15(20)14(11)7-13/h1-7H,8-9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Inhibition of human recombinant monoamine oxidase-B assessed as kynuramine conversion to 6-hydroxyquinoline after 20 mins by fluorescence spectrophot...				Bioorg Med Chem Lett 23: 1269-73 (2013) Article DOI: 10.1016/j.bmcl.2013.01.003 BindingDB Entry DOI: 10.7270/Q2HQ42TM
					More data for this Ligand-Target Pair