BDBM50409111 CHEMBL356714

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

InChI Key: InChIKey=KVCCRDOTNLCYNF-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50409111   

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 (Rattus norvegicus (rat))	BDBM50409111 (CHEMBL356714) Show SMILES Cc1c(C)c(=O)oc2cc(OCc3cccc(c3)C#N)ccc12 Show InChI InChI=1S/C19H15NO3/c1-12-13(2)19(21)23-18-9-16(6-7-17(12)18)22-11-15-5-3-4-14(8-15)10-20/h3-9H,11H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	219	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] B (Homo sapiens (Human))	BDBM50409111 (CHEMBL356714) Show SMILES Cc1c(C)c(=O)oc2cc(OCc3cccc(c3)C#N)ccc12 Show InChI InChI=1S/C19H15NO3/c1-12-13(2)19(21)23-18-9-16(6-7-17(12)18)22-11-15-5-3-4-14(8-15)10-20/h3-9H,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41	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
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat))	BDBM50409111 (CHEMBL356714) Show SMILES Cc1c(C)c(=O)oc2cc(OCc3cccc(c3)C#N)ccc12 Show InChI InChI=1S/C19H15NO3/c1-12-13(2)19(21)23-18-9-16(6-7-17(12)18)22-11-15-5-3-4-14(8-15)10-20/h3-9H,11H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.7	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))	BDBM50409111 (CHEMBL356714) Show SMILES Cc1c(C)c(=O)oc2cc(OCc3cccc(c3)C#N)ccc12 Show InChI InChI=1S/C19H15NO3/c1-12-13(2)19(21)23-18-9-16(6-7-17(12)18)22-11-15-5-3-4-14(8-15)10-20/h3-9H,11H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10.7	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