Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50457103'   

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 (Homo sapiens (Human))	BDBM50457103 (CHEMBL4217668) Show SMILES Cn1c2c(nc(N)n3nc(nc23)-c2ccco2)n(CCN2CCN(CC2)c2ccc(OC(F)F)cc2)c1=O Show InChI InChI=1S/C24H25F2N9O3/c1-31-18-20(29-23(27)35-21(18)28-19(30-35)17-3-2-14-37-17)34(24(31)36)13-10-32-8-11-33(12-9-32)15-4-6-16(7-5-15)38-22(25)26/h2-7,14,22H,8-13H2,1H3,(H2,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human A2A receptor expressed in HEK293 cell membranes assessed as reduction in CGS-21680-induced cAMP level pretreated for 15 ...				ACS Med Chem Lett 8: 835-840 (2017) Article DOI: 10.1021/acsmedchemlett.7b00175 BindingDB Entry DOI: 10.7270/Q2571FMD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50457103 (CHEMBL4217668) Show SMILES Cn1c2c(nc(N)n3nc(nc23)-c2ccco2)n(CCN2CCN(CC2)c2ccc(OC(F)F)cc2)c1=O Show InChI InChI=1S/C24H25F2N9O3/c1-31-18-20(29-23(27)35-21(18)28-19(30-35)17-3-2-14-37-17)34(24(31)36)13-10-32-8-11-33(12-9-32)15-4-6-16(7-5-15)38-22(25)26/h2-7,14,22H,8-13H2,1H3,(H2,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at rat A2A receptor assessed as reduction in CGS-21680-induced cAMP level pretreated for 15 mins followed by CGS-21680 addition m...				ACS Med Chem Lett 8: 835-840 (2017) Article DOI: 10.1021/acsmedchemlett.7b00175 BindingDB Entry DOI: 10.7270/Q2571FMD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50457103 (CHEMBL4217668) Show SMILES Cn1c2c(nc(N)n3nc(nc23)-c2ccco2)n(CCN2CCN(CC2)c2ccc(OC(F)F)cc2)c1=O Show InChI InChI=1S/C24H25F2N9O3/c1-31-18-20(29-23(27)35-21(18)28-19(30-35)17-3-2-14-37-17)34(24(31)36)13-10-32-8-11-33(12-9-32)15-4-6-16(7-5-15)38-22(25)26/h2-7,14,22H,8-13H2,1H3,(H2,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes after 90 mins radioligand binding assay				ACS Med Chem Lett 8: 835-840 (2017) Article DOI: 10.1021/acsmedchemlett.7b00175 BindingDB Entry DOI: 10.7270/Q2571FMD
					More data for this Ligand-Target Pair