BDBM50376955 CHEMBL260490

SMILES: CCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1

InChI Key: InChIKey=NHFVPOFRVAXYBX-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 = 50376955   

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))	BDBM50376955 (CHEMBL260490) Show SMILES CCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C18H17FN6O2/c1-3-25-17(26)14-16(23(2)18(25)27)22-15(21-14)12-8-20-24(10-12)9-11-5-4-6-13(19)7-11/h4-8,10H,3,9H2,1-2H3,(H,21,22)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells				J Med Chem 51: 2267-78 (2008) Article DOI: 10.1021/jm7014815 BindingDB Entry DOI: 10.7270/Q2MC90W2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50376955 (CHEMBL260490) Show SMILES CCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C18H17FN6O2/c1-3-25-17(26)14-16(23(2)18(25)27)22-15(21-14)12-8-20-24(10-12)9-11-5-4-6-13(19)7-11/h4-8,10H,3,9H2,1-2H3,(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	231	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241385 from human recombinant adenosine A2A receptor expressed in HEK293 cells				J Med Chem 51: 2267-78 (2008) Article DOI: 10.1021/jm7014815 BindingDB Entry DOI: 10.7270/Q2MC90W2
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50376955 (CHEMBL260490) Show SMILES CCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C18H17FN6O2/c1-3-25-17(26)14-16(23(2)18(25)27)22-15(21-14)12-8-20-24(10-12)9-11-5-4-6-13(19)7-11/h4-8,10H,3,9H2,1-2H3,(H,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	282	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [125I]ABMECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 51: 2267-78 (2008) Article DOI: 10.1021/jm7014815 BindingDB Entry DOI: 10.7270/Q2MC90W2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50376955 (CHEMBL260490) Show SMILES CCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C18H17FN6O2/c1-3-25-17(26)14-16(23(2)18(25)27)22-15(21-14)12-8-20-24(10-12)9-11-5-4-6-13(19)7-11/h4-8,10H,3,9H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]CPX from human recombinant adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 2267-78 (2008) Article DOI: 10.1021/jm7014815 BindingDB Entry DOI: 10.7270/Q2MC90W2
					More data for this Ligand-Target Pair