BDBM50425496 CHEMBL2312979

SMILES: Cn1c(Oc2cccc(c2)-c2ccccc2)cc2n(C)c(=O)n(C)c(=O)c12

InChI Key: InChIKey=VTHJZJDQRGPHOW-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50425496   

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))	BDBM50425496 (CHEMBL2312979) Show SMILES Cn1c(Oc2cccc(c2)-c2ccccc2)cc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C21H19N3O3/c1-22-17-13-18(23(2)19(17)20(25)24(3)21(22)26)27-16-11-7-10-15(12-16)14-8-5-4-6-9-14/h4-13H,1-3H3	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	>1.00E+4	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] B (Homo sapiens (Human))	BDBM50425496 (CHEMBL2312979) Show SMILES Cn1c(Oc2cccc(c2)-c2ccccc2)cc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C21H19N3O3/c1-22-17-13-18(23(2)19(17)20(25)24(3)21(22)26)27-16-11-7-10-15(12-16)14-8-5-4-6-9-14/h4-13H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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