Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a/A2b' and Ligand = 'BDBM50367368'   

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/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50367368 (CHEMBL606290) Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cc(OC)c(OC)c(OC)c3)ncnc12 |r| Show InChI InChI=1S/C23H30N6O7/c1-5-24-22(32)19-16(30)17(31)23(36-19)29-11-28-15-20(26-10-27-21(15)29)25-7-6-12-8-13(33-2)18(35-4)14(9-12)34-3/h8-11,16-17,19,23,30-31H,5-7H2,1-4H3,(H,24,32)(H,25,26,27)/t16-,17+,19-,23?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Potency against PC12 cell A2 adenosine receptor by adenylate cyclase activation				J Med Chem 29: 1683-9 (1986) BindingDB Entry DOI: 10.7270/Q2Z89D0F
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Homo sapiens (Human))	BDBM50367368 (CHEMBL606290) Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cc(OC)c(OC)c(OC)c3)ncnc12 |r| Show InChI InChI=1S/C23H30N6O7/c1-5-24-22(32)19-16(30)17(31)23(36-19)29-11-28-15-20(26-10-27-21(15)29)25-7-6-12-8-13(33-2)18(35-4)14(9-12)34-3/h8-11,16-17,19,23,30-31H,5-7H2,1-4H3,(H,24,32)(H,25,26,27)/t16-,17+,19-,23?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Potency against human platelet A2 adenosine receptor				J Med Chem 29: 1683-9 (1986) BindingDB Entry DOI: 10.7270/Q2Z89D0F
					More data for this Ligand-Target Pair