BDBM50425487 CHEMBL2313294

SMILES: COc1cccc(\C=C\c2cc3n(C)c(=O)n(C)c(=O)c3n2C)c1

InChI Key: InChIKey=JIFDQSFRBJEEAE-CMDGGOBGSA-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 = 50425487   

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 A2a (Homo sapiens (Human))	BDBM50425487 (CHEMBL2313294) Show SMILES COc1cccc(\C=C\c2cc3n(C)c(=O)n(C)c(=O)c3n2C)c1 Show InChI InChI=1S/C18H19N3O3/c1-19-13(9-8-12-6-5-7-14(10-12)24-4)11-15-16(19)17(22)21(3)18(23)20(15)2/h5-11H,1-4H3/b9-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	391	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50425487 (CHEMBL2313294) Show SMILES COc1cccc(\C=C\c2cc3n(C)c(=O)n(C)c(=O)c3n2C)c1 Show InChI InChI=1S/C18H19N3O3/c1-19-13(9-8-12-6-5-7-14(10-12)24-4)11-15-16(19)17(22)21(3)18(23)20(15)2/h5-11H,1-4H3/b9-8+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Inhibition of human MAOA after 1 hr by luminescence assay				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50425487 (CHEMBL2313294) Show SMILES COc1cccc(\C=C\c2cc3n(C)c(=O)n(C)c(=O)c3n2C)c1 Show InChI InChI=1S/C18H19N3O3/c1-19-13(9-8-12-6-5-7-14(10-12)24-4)11-15-16(19)17(22)21(3)18(23)20(15)2/h5-11H,1-4H3/b9-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Inhibition of human MAOB after 1 hr by luminescence assay				J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H
					More data for this Ligand-Target Pair