BDBM50409097 CHEMBL108697

SMILES: Cc1c(C)c(=O)oc2cc(OCc3cccc(F)c3)ccc12

InChI Key: InChIKey=XGJZBERLEOSMIT-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 50409097   

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
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat))	BDBM50409097 (CHEMBL108697) Show SMILES Cc1c(C)c(=O)oc2cc(OCc3cccc(F)c3)ccc12 Show InChI InChI=1S/C18H15FO3/c1-11-12(2)18(20)22-17-9-15(6-7-16(11)17)21-10-13-4-3-5-14(19)8-13/h3-9H,10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lausanne Curated by ChEMBL					Assay Description Inhibitory activity against monoamine oxidase B				J Med Chem 44: 3195-8 (2001) BindingDB Entry DOI: 10.7270/Q2HQ417K
					More data for this Ligand-Target Pair
Monoamine oxidase (Rattus norvegicus (rat))	BDBM50409097 (CHEMBL108697) Show SMILES Cc1c(C)c(=O)oc2cc(OCc3cccc(F)c3)ccc12 Show InChI InChI=1S/C18H15FO3/c1-11-12(2)18(20)22-17-9-15(6-7-16(11)17)21-10-13-4-3-5-14(19)8-13/h3-9H,10H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	575	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lausanne Curated by ChEMBL					Assay Description Inhibitory activity against monoamine oxidase A				J Med Chem 44: 3195-8 (2001) BindingDB Entry DOI: 10.7270/Q2HQ417K
					More data for this Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat))	BDBM50409097 (CHEMBL108697) Show SMILES Cc1c(C)c(=O)oc2cc(OCc3cccc(F)c3)ccc12 Show InChI InChI=1S/C18H15FO3/c1-11-12(2)18(20)22-17-9-15(6-7-16(11)17)21-10-13-4-3-5-14(19)8-13/h3-9H,10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.82	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lausanne Curated by ChEMBL					Assay Description Inhibitory effect on Monoamine oxidase B, SD on IC50 values < 10%				J Med Chem 43: 4747-58 (2000) BindingDB Entry DOI: 10.7270/Q20K29RT
					More data for this Ligand-Target Pair
Monoamine oxidase (Rattus norvegicus (rat))	BDBM50409097 (CHEMBL108697) Show SMILES Cc1c(C)c(=O)oc2cc(OCc3cccc(F)c3)ccc12 Show InChI InChI=1S/C18H15FO3/c1-11-12(2)18(20)22-17-9-15(6-7-16(11)17)21-10-13-4-3-5-14(19)8-13/h3-9H,10H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	575	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lausanne Curated by ChEMBL					Assay Description Inhibitory effect on monoamine oxidase A, SD on IC50 values < 10%				J Med Chem 43: 4747-58 (2000) BindingDB Entry DOI: 10.7270/Q20K29RT
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50409097 (CHEMBL108697) Show SMILES Cc1c(C)c(=O)oc2cc(OCc3cccc(F)c3)ccc12 Show InChI InChI=1S/C18H15FO3/c1-11-12(2)18(20)22-17-9-15(6-7-16(11)17)21-10-13-4-3-5-14(19)8-13/h3-9H,10H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric met...				Bioorg Med Chem 24: 5929-5940 (2016) Article DOI: 10.1016/j.bmc.2016.09.050 BindingDB Entry DOI: 10.7270/Q2FN1854
					More data for this Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat))	BDBM50409097 (CHEMBL108697) Show SMILES Cc1c(C)c(=O)oc2cc(OCc3cccc(F)c3)ccc12 Show InChI InChI=1S/C18H15FO3/c1-11-12(2)18(20)22-17-9-15(6-7-16(11)17)21-10-13-4-3-5-14(19)8-13/h3-9H,10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.82	n/a	n/a	n/a	n/a	n/a	n/a
University of Geneva Curated by ChEMBL					Assay Description Inhibition of rat brain MAOB				J Med Chem 49: 6264-72 (2006) Article DOI: 10.1021/jm060441e BindingDB Entry DOI: 10.7270/Q2X63P5Q
					More data for this Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat))	BDBM50409097 (CHEMBL108697) Show SMILES Cc1c(C)c(=O)oc2cc(OCc3cccc(F)c3)ccc12 Show InChI InChI=1S/C18H15FO3/c1-11-12(2)18(20)22-17-9-15(6-7-16(11)17)21-10-13-4-3-5-14(19)8-13/h3-9H,10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of rat brain mitochondrial MAOB using kynuramine as substrate assessed as decrease in 4-hydroxyquinoline production by spectrophotometry				Bioorg Med Chem 24: 5929-5940 (2016) Article DOI: 10.1016/j.bmc.2016.09.050 BindingDB Entry DOI: 10.7270/Q2FN1854
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50409097 (CHEMBL108697) Show SMILES Cc1c(C)c(=O)oc2cc(OCc3cccc(F)c3)ccc12 Show InChI InChI=1S/C18H15FO3/c1-11-12(2)18(20)22-17-9-15(6-7-16(11)17)21-10-13-4-3-5-14(19)8-13/h3-9H,10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric met...				Bioorg Med Chem 24: 5929-5940 (2016) Article DOI: 10.1016/j.bmc.2016.09.050 BindingDB Entry DOI: 10.7270/Q2FN1854
					More data for this Ligand-Target Pair
Monoamine oxidase (Rattus norvegicus (rat))	BDBM50409097 (CHEMBL108697) Show SMILES Cc1c(C)c(=O)oc2cc(OCc3cccc(F)c3)ccc12 Show InChI InChI=1S/C18H15FO3/c1-11-12(2)18(20)22-17-9-15(6-7-16(11)17)21-10-13-4-3-5-14(19)8-13/h3-9H,10H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	575	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of rat brain mitochondrial MAOA using kynuramine as substrate assessed as decrease in 4-hydroxyquinoline production by spectrophotometry				Bioorg Med Chem 24: 5929-5940 (2016) Article DOI: 10.1016/j.bmc.2016.09.050 BindingDB Entry DOI: 10.7270/Q2FN1854
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50409097 (CHEMBL108697) Show SMILES Cc1c(C)c(=O)oc2cc(OCc3cccc(F)c3)ccc12 Show InChI InChI=1S/C18H15FO3/c1-11-12(2)18(20)22-17-9-15(6-7-16(11)17)21-10-13-4-3-5-14(19)8-13/h3-9H,10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.912	n/a	n/a	n/a	n/a	n/a	n/a
University of Geneva Curated by ChEMBL					Assay Description Inhibition of human supersomes MAOB				J Med Chem 49: 6264-72 (2006) Article DOI: 10.1021/jm060441e BindingDB Entry DOI: 10.7270/Q2X63P5Q
					More data for this Ligand-Target Pair