BDBM50274067 CHEMBL4128108

SMILES: Nc1nn(nc1C(=O)CCc1ccccc1)-c1ccccc1Cl

InChI Key: InChIKey=RAOSKGHUIWNDSG-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 = 50274067   

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))	BDBM50274067 (CHEMBL4128108) Show SMILES Nc1nn(nc1C(=O)CCc1ccccc1)-c1ccccc1Cl Show InChI InChI=1S/C17H15ClN4O/c18-13-8-4-5-9-14(13)22-20-16(17(19)21-22)15(23)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from A2A receptor in human HeLa cell membranes after 30 mins by beta-scintillation counting method				J Med Chem 61: 5269-5278 (2018) Article DOI: 10.1021/acs.jmedchem.8b00204 BindingDB Entry DOI: 10.7270/Q2SJ1P38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50274067 (CHEMBL4128108) Show SMILES Nc1nn(nc1C(=O)CCc1ccccc1)-c1ccccc1Cl Show InChI InChI=1S/C17H15ClN4O/c18-13-8-4-5-9-14(13)22-20-16(17(19)21-22)15(23)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Uppsala University Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using tyramine as substrate preincubated for 30 mins followe...				J Med Chem 61: 5269-5278 (2018) Article DOI: 10.1021/acs.jmedchem.8b00204 BindingDB Entry DOI: 10.7270/Q2SJ1P38
					More data for this Ligand-Target Pair