BDBM50350114 CHEMBL1814066

SMILES: Oc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1O

InChI Key: InChIKey=JABMQYLMUUGRPZ-UHFFFAOYSA-N

Data: 1 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 3 hits for monomerid = 50350114   

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
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50350114 (CHEMBL1814066) Show SMILES Oc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1O Show InChI InChI=1S/C16H11NO5/c18-12-6-5-9(7-13(12)19)17-16(21)11-8-22-14-4-2-1-3-10(14)15(11)20/h1-8,18-19H,(H,17,21)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Porto Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting				Eur J Med Chem 54: 914-8 (2012) Article DOI: 10.1016/j.ejmech.2012.05.033 BindingDB Entry DOI: 10.7270/Q2S46T0B
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50350114 (CHEMBL1814066) Show SMILES Oc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1O Show InChI InChI=1S/C16H11NO5/c18-12-6-5-9(7-13(12)19)17-16(21)11-8-22-14-4-2-1-3-10(14)15(11)20/h1-8,18-19H,(H,17,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Porto Curated by ChEMBL					Assay Description Inhibition of human MAO-B assessed as inhibition of p-tyramine oxidation to p-hydroxyphenyl-acetaldehyde after 15 mins by fluorimetric method				J Med Chem 54: 5165-73 (2011) Article DOI: 10.1021/jm2004267 BindingDB Entry DOI: 10.7270/Q20865PP
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50350114 (CHEMBL1814066) Show SMILES Oc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1O Show InChI InChI=1S/C16H11NO5/c18-12-6-5-9(7-13(12)19)17-16(21)11-8-22-14-4-2-1-3-10(14)15(11)20/h1-8,18-19H,(H,17,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Porto Curated by ChEMBL					Assay Description Inhibition of human MAO-A assessed as inhibition of p-tyramine oxidation to p-hydroxyphenyl-acetaldehyde after 15 mins by fluorimetric method				J Med Chem 54: 5165-73 (2011) Article DOI: 10.1021/jm2004267 BindingDB Entry DOI: 10.7270/Q20865PP
					More data for this Ligand-Target Pair