BDBM50467508 CHEMBL4284580

SMILES: OC(=O)\C=C\c1ccc2occ(C(=O)Nc3ccccc3)c(=O)c2c1

InChI Key: InChIKey=DLWNTPFPPXXHTP-VQHVLOKHSA-N

Data: 3 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 3 hits for monomerid = 50467508   

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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50467508 (CHEMBL4284580) Show SMILES OC(=O)\C=C\c1ccc2occ(C(=O)Nc3ccccc3)c(=O)c2c1 Show InChI InChI=1S/C19H13NO5/c21-17(22)9-7-12-6-8-16-14(10-12)18(23)15(11-25-16)19(24)20-13-4-2-1-3-5-13/h1-11H,(H,20,24)(H,21,22)/b9-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition measured after 5 mins by El...				Eur J Med Chem 158: 781-800 (2018) Article DOI: 10.1016/j.ejmech.2018.07.056 BindingDB Entry DOI: 10.7270/Q2F192DM
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50467508 (CHEMBL4284580) Show SMILES OC(=O)\C=C\c1ccc2occ(C(=O)Nc3ccccc3)c(=O)c2c1 Show InChI InChI=1S/C19H13NO5/c21-17(22)9-7-12-6-8-16-14(10-12)18(23)15(11-25-16)19(24)20-13-4-2-1-3-5-13/h1-11H,(H,20,24)(H,21,22)/b9-7+	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Inhibition of human BACE1 using rhodamine-EVNLDAEFK-quencher as substrate after 60 mins by FRET assay				Eur J Med Chem 158: 781-800 (2018) Article DOI: 10.1016/j.ejmech.2018.07.056 BindingDB Entry DOI: 10.7270/Q2F192DM
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50467508 (CHEMBL4284580) Show SMILES OC(=O)\C=C\c1ccc2occ(C(=O)Nc3ccccc3)c(=O)c2c1 Show InChI InChI=1S/C19H13NO5/c21-17(22)9-7-12-6-8-16-14(10-12)18(23)15(11-25-16)19(24)20-13-4-2-1-3-5-13/h1-11H,(H,20,24)(H,21,22)/b9-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB expressed in baculovirus infected BTI-TN-5B1- 4 cells using p-tyramine as substrate assessed as decrease in H2O2...				Eur J Med Chem 158: 781-800 (2018) Article DOI: 10.1016/j.ejmech.2018.07.056 BindingDB Entry DOI: 10.7270/Q2F192DM
					More data for this Ligand-Target Pair