BDBM50389836 CHEMBL2070722

SMILES: NC(Nc1nc2ccccc2s1)=NC(=O)CN1C(=O)C2CCCCC2C1=O

InChI Key: InChIKey=MIWQXYRPJRSUKA-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50389836   

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))	BDBM50389836 (CHEMBL2070722) Show SMILES NC(Nc1nc2ccccc2s1)=NC(=O)CN1C(=O)C2CCCCC2C1=O |w:12.14| Show InChI InChI=1S/C18H19N5O3S/c19-17(22-18-20-12-7-3-4-8-13(12)27-18)21-14(24)9-23-15(25)10-5-1-2-6-11(10)16(23)26/h3-4,7-8,10-11H,1-2,5-6,9H2,(H3,19,20,21,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human AA2AR expressed in HEK293T cells after 2 hrs by liquid scintillation counter				J Med Chem 55: 5311-25 (2012) Article DOI: 10.1021/jm300280e BindingDB Entry DOI: 10.7270/Q2N58NFZ
					More data for this Ligand-Target Pair