null

SMILES: COCCOc1ccc(cc1)N1CCN(CCn2c3nc(N)n4nc(nc4c3n(C)c2=O)-c2ccco2)CC1

InChI Key: InChIKey=DZAZOXNQTRLVNU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50457087   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50457087 (CHEMBL4205341) Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2c3nc(N)n4nc(nc4c3n(C)c2=O)-c2ccco2)CC1 Show InChI InChI=1S/C26H31N9O4/c1-31-21-23(29-25(27)35-24(21)28-22(30-35)20-4-3-15-39-20)34(26(31)36)14-11-32-9-12-33(13-10-32)18-5-7-19(8-6-18)38-17-16-37-2/h3-8,15H,9-14,16-17H2,1-2H3,(H2,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.280	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))	BDBM50457087 (CHEMBL4205341) Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2c3nc(N)n4nc(nc4c3n(C)c2=O)-c2ccco2)CC1 Show InChI InChI=1S/C26H31N9O4/c1-31-21-23(29-25(27)35-24(21)28-22(30-35)20-4-3-15-39-20)34(26(31)36)14-11-32-9-12-33(13-10-32)18-5-7-19(8-6-18)38-17-16-37-2/h3-8,15H,9-14,16-17H2,1-2H3,(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	0.420	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 (Homo sapiens (Human))	BDBM50457087 (CHEMBL4205341) Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2c3nc(N)n4nc(nc4c3n(C)c2=O)-c2ccco2)CC1 Show InChI InChI=1S/C26H31N9O4/c1-31-21-23(29-25(27)35-24(21)28-22(30-35)20-4-3-15-39-20)34(26(31)36)14-11-32-9-12-33(13-10-32)18-5-7-19(8-6-18)38-17-16-37-2/h3-8,15H,9-14,16-17H2,1-2H3,(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	2	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
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50457087 (CHEMBL4205341) Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2c3nc(N)n4nc(nc4c3n(C)c2=O)-c2ccco2)CC1 Show InChI InChI=1S/C26H31N9O4/c1-31-21-23(29-25(27)35-24(21)28-22(30-35)20-4-3-15-39-20)34(26(31)36)14-11-32-9-12-33(13-10-32)18-5-7-19(8-6-18)38-17-16-37-2/h3-8,15H,9-14,16-17H2,1-2H3,(H2,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70E+3	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]-DPCPX from human A1 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