BDBM50048012 CHEMBL3314896

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

InChI Key: InChIKey=LMDLTPLDFIQQJX-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 = 50048012   

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 A3 (Homo sapiens (Human))	BDBM50048012 (CHEMBL3314896) Show SMILES CCOC(=O)c1cnc(NCc2ccc(C)cc2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C20H19N5O3/c1-3-27-19(26)15-12-22-20(21-11-14-8-6-13(2)7-9-14)25-18(15)23-17(24-25)16-5-4-10-28-16/h4-10,12H,3,11H2,1-2H3,(H,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	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 A2a (Homo sapiens (Human))	BDBM50048012 (CHEMBL3314896) Show SMILES CCOC(=O)c1cnc(NCc2ccc(C)cc2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C20H19N5O3/c1-3-27-19(26)15-12-22-20(21-11-14-8-6-13(2)7-9-14)25-18(15)23-17(24-25)16-5-4-10-28-16/h4-10,12H,3,11H2,1-2H3,(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	122	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 A1 (Homo sapiens (Human))	BDBM50048012 (CHEMBL3314896) Show SMILES CCOC(=O)c1cnc(NCc2ccc(C)cc2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C20H19N5O3/c1-3-27-19(26)15-12-22-20(21-11-14-8-6-13(2)7-9-14)25-18(15)23-17(24-25)16-5-4-10-28-16/h4-10,12H,3,11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.34E+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 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))	BDBM50048012 (CHEMBL3314896) Show SMILES CCOC(=O)c1cnc(NCc2ccc(C)cc2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C20H19N5O3/c1-3-27-19(26)15-12-22-20(21-11-14-8-6-13(2)7-9-14)25-18(15)23-17(24-25)16-5-4-10-28-16/h4-10,12H,3,11H2,1-2H3,(H,21,22)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	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