BDBM50377540 CHEMBL402172

SMILES: Cc1cccc(Cn2ncc3c(nc(N)nc23)-c2ccco2)c1

InChI Key: InChIKey=KTFSXZDFJVBZPU-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50377540   

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))	BDBM50377540 (CHEMBL402172) Show SMILES Cc1cccc(Cn2ncc3c(nc(N)nc23)-c2ccco2)c1 Show InChI InChI=1S/C17H15N5O/c1-11-4-2-5-12(8-11)10-22-16-13(9-19-22)15(20-17(18)21-16)14-6-3-7-23-14/h2-9H,10H2,1H3,(H2,18,20,21)	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	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Binding affinity at human adenosine A2A receptor				Bioorg Med Chem Lett 18: 2924-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.072 BindingDB Entry DOI: 10.7270/Q23779KZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50377540 (CHEMBL402172) Show SMILES Cc1cccc(Cn2ncc3c(nc(N)nc23)-c2ccco2)c1 Show InChI InChI=1S/C17H15N5O/c1-11-4-2-5-12(8-11)10-22-16-13(9-19-22)15(20-17(18)21-16)14-6-3-7-23-14/h2-9H,10H2,1H3,(H2,18,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	252	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Binding affinity at human adenosine A1 receptor				Bioorg Med Chem Lett 18: 2924-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.072 BindingDB Entry DOI: 10.7270/Q23779KZ
					More data for this Ligand-Target Pair