BDBM50425478 CHEMBL2313279

SMILES: Cn1c(\C=C\c2ccc(cc2)C#N)cc2n(C)c(=O)n(C)c(=O)c12

InChI Key: InChIKey=FWYHZAHCIAKXRA-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 = 50425478   

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))	BDBM50425478 (CHEMBL2313279) Show SMILES Cn1c(\C=C\c2ccc(cc2)C#N)cc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C18H16N4O2/c1-20-14(9-8-12-4-6-13(11-19)7-5-12)10-15-16(20)17(23)22(3)18(24)21(15)2/h4-10H,1-3H3/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	>1.00E+3	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))	BDBM50425478 (CHEMBL2313279) Show SMILES Cn1c(\C=C\c2ccc(cc2)C#N)cc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C18H16N4O2/c1-20-14(9-8-12-4-6-13(11-19)7-5-12)10-15-16(20)17(23)22(3)18(24)21(15)2/h4-10H,1-3H3/b9-8+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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 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))	BDBM50425478 (CHEMBL2313279) Show SMILES Cn1c(\C=C\c2ccc(cc2)C#N)cc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C18H16N4O2/c1-20-14(9-8-12-4-6-13(11-19)7-5-12)10-15-16(20)17(23)22(3)18(24)21(15)2/h4-10H,1-3H3/b9-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	543	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