Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50051226'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50051226 (7-(4-Fluoro-benzyl)-2-furan-2-yl-7H-pyrazolo[4,3-e...) Show SMILES Nc1nc2n(Cc3ccc(F)cc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C17H12FN7O/c18-11-5-3-10(4-6-11)9-24-15-12(8-20-24)16-21-14(13-2-1-7-26-13)23-25(16)17(19)22-15/h1-8H,9H2,(H2,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Research Laboratories, Kissei Pharmaceutical Co., Ltd., 4365-1 Kashiwabara, Hotaka, Azumino, Nagano 399-8304, Japan. Curated by ChEMBL					Assay Description Binding affinity to rat A2A adenosine receptor				ACS Med Chem Lett 8: 660-665 (2017) Article DOI: 10.1021/acsmedchemlett.7b00138 BindingDB Entry DOI: 10.7270/Q2GT5QMW
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Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50051226 (7-(4-Fluoro-benzyl)-2-furan-2-yl-7H-pyrazolo[4,3-e...) Show SMILES Nc1nc2n(Cc3ccc(F)cc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C17H12FN7O/c18-11-5-3-10(4-6-11)9-24-15-12(8-20-24)16-21-14(13-2-1-7-26-13)23-25(16)17(19)22-15/h1-8H,9H2,(H2,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.				J Med Chem 39: 1164-71 (1996) Article DOI: 10.1021/jm950746l BindingDB Entry DOI: 10.7270/Q2NP23H4
					More data for this Ligand-Target Pair