Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50315863'   

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 A1 (Homo sapiens (Human))	BDBM50315863 (2-Amino-6-[5-(4-nitrophenoxy)-pentyl]-4,5,6,7-tetr...) Show SMILES Nc1sc2CN(CCCCCOc3ccc(cc3)[N+]([O-])=O)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H25Cl2N3O4S/c26-20-9-4-16(14-21(20)27)24(31)23-19-10-12-29(15-22(19)35-25(23)28)11-2-1-3-13-34-18-7-5-17(6-8-18)30(32)33/h4-9,14H,1-3,10-13,15,28H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells by scintillation counting				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
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