Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM82050'   

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 (Rattus norvegicus (rat))	BDBM82050 (N6-[3-(4-Chlorophenyl)bicyclo[2.2.2]oct-2-yl]ado (...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC34CCC(CC3)CC4c3ccc(Cl)cc3)ncnc12 |r,wU:7.8,5.5,wD:2.1,4.9,(5.66,1.76,;4.18,2.16,;3.15,1.02,;1.61,1.18,;.99,-.23,;2.13,-1.26,;1.97,-2.79,;3.47,-.49,;4.87,-1.12,;-.52,-.55,;-1.14,-1.96,;-2.68,-1.8,;-3,-.29,;-4.33,.48,;-5.66,-.29,;-5.66,-1.83,;-4.33,-2.6,;-4.33,-4.14,;-5.66,-4.91,;-6.1,-3.91,;-5.12,-3.14,;-7,-4.14,;-7,-2.6,;-8.18,-2.14,;-8.18,-.6,;-9.51,.17,;-10.85,-.6,;-12.05,.27,;-10.85,-2.14,;-9.51,-2.91,;-4.33,2.02,;-3,2.79,;-1.66,2.02,;-1.66,.48,)| Show InChI InChI=1S/C24H28ClN5O4/c25-15-3-1-14(2-4-15)16-9-13-5-7-24(16,8-6-13)29-21-18-22(27-11-26-21)30(12-28-18)23-20(33)19(32)17(10-31)34-23/h1-4,11-13,16-17,19-20,23,31-33H,5-10H2,(H,26,27,29)/t13?,16?,17-,19-,20-,23-,24?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	19.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert/Parke-Davis Pharmaceutical Research Curated by PDSP Ki Database									Mol Pharmacol 29: 331-46 (1986) BindingDB Entry DOI: 10.7270/Q2MK6BDV
					More data for this Ligand-Target Pair