BDBM50048014 CHEMBL3314898

SMILES: CCOC(=O)c1cnc(NCc2ccc(F)cc2)n2nc(nc12)-c1ccco1

InChI Key: InChIKey=QZWUMCQUZKEPGT-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50048014   

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 (Homo sapiens (Human))	BDBM50048014 (CHEMBL3314898) Show SMILES CCOC(=O)c1cnc(NCc2ccc(F)cc2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C19H16FN5O3/c1-2-27-18(26)14-11-22-19(21-10-12-5-7-13(20)8-6-12)25-17(14)23-16(24-25)15-4-3-9-28-15/h3-9,11H,2,10H2,1H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50048014 (CHEMBL3314898) Show SMILES CCOC(=O)c1cnc(NCc2ccc(F)cc2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C19H16FN5O3/c1-2-27-18(26)14-11-22-19(21-10-12-5-7-13(20)8-6-12)25-17(14)23-16(24-25)15-4-3-9-28-15/h3-9,11H,2,10H2,1H3,(H,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50048014 (CHEMBL3314898) Show SMILES CCOC(=O)c1cnc(NCc2ccc(F)cc2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C19H16FN5O3/c1-2-27-18(26)14-11-22-19(21-10-12-5-7-13(20)8-6-12)25-17(14)23-16(24-25)15-4-3-9-28-15/h3-9,11H,2,10H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	932	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50048014 (CHEMBL3314898) Show SMILES CCOC(=O)c1cnc(NCc2ccc(F)cc2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C19H16FN5O3/c1-2-27-18(26)14-11-22-19(21-10-12-5-7-13(20)8-6-12)25-17(14)23-16(24-25)15-4-3-9-28-15/h3-9,11H,2,10H2,1H3,(H,21,22)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair