BDBM50415170 CHEMBL604075

SMILES: Cn1c(Cc2ccco2)nc2n(Cc3ccco3)c(=O)n(C)c(=O)c12

InChI Key: InChIKey=GKJAWXNDLJPCHD-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50415170   

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 A2b (Homo sapiens (Human))	BDBM50415170 (CHEMBL604075) Show SMILES Cn1c(Cc2ccco2)nc2n(Cc3ccco3)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H16N4O4/c1-19-13(9-11-5-3-7-24-11)18-15-14(19)16(22)20(2)17(23)21(15)10-12-6-4-8-25-12/h3-8H,9-10H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem 17: 6755-60 (2009) Article DOI: 10.1016/j.bmc.2009.07.034 BindingDB Entry DOI: 10.7270/Q24T6KMH
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50415170 (CHEMBL604075) Show SMILES Cn1c(Cc2ccco2)nc2n(Cc3ccco3)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H16N4O4/c1-19-13(9-11-5-3-7-24-11)18-15-14(19)16(22)20(2)17(23)21(15)10-12-6-4-8-25-12/h3-8H,9-10H2,1-2H3	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	148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells by microplate beta scintillation counting				Bioorg Med Chem 17: 6755-60 (2009) Article DOI: 10.1016/j.bmc.2009.07.034 BindingDB Entry DOI: 10.7270/Q24T6KMH
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50415170 (CHEMBL604075) Show SMILES Cn1c(Cc2ccco2)nc2n(Cc3ccco3)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H16N4O4/c1-19-13(9-11-5-3-7-24-11)18-15-14(19)16(22)20(2)17(23)21(15)10-12-6-4-8-25-12/h3-8H,9-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	525	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX form adenosine A1 receptor in rat cortex membrane				Bioorg Med Chem 17: 6755-60 (2009) Article DOI: 10.1016/j.bmc.2009.07.034 BindingDB Entry DOI: 10.7270/Q24T6KMH
					More data for this Ligand-Target Pair