Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50267537'   

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))	BDBM50267537 (2-Chloro-N6-(+/-)-endo-norbornyl-9H-[2-C-methyl-5-...) Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CSc2ccccc2F)O[C@H]1n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 |r,TLB:22:23:27.26:29| Show InChI InChI=1S/C24H27ClFN5O3S/c1-24(33)19(32)16(10-35-17-5-3-2-4-14(17)26)34-22(24)31-11-27-18-20(29-23(25)30-21(18)31)28-15-9-12-6-7-13(15)8-12/h2-5,11-13,15-16,19,22,32-33H,6-10H2,1H3,(H,28,29,30)/t12?,13?,15?,16-,19-,22-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells				J Med Chem 52: 2393-406 (2009) Article DOI: 10.1021/jm801456g BindingDB Entry DOI: 10.7270/Q2C8296Z
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