BDBM50410709 CHEMBL201293

SMILES: CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)N(CC(=O)Nc1ccc(Br)cc1)C=O

InChI Key: InChIKey=ZEHWFMJMZOZIAM-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 = 50410709   

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))	BDBM50410709 (CHEMBL201293) Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)N(CC(=O)Nc1ccc(Br)cc1)C=O Show InChI InChI=1S/C27H28BrN5O4/c1-3-13-32-23-15-22(30-25(23)26(36)33(14-4-2)27(32)37)18-5-11-21(12-6-18)31(17-34)16-24(35)29-20-9-7-19(28)8-10-20/h5-12,15,17,30H,3-4,13-14,16H2,1-2H3,(H,29,35)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Binding affinity to recombinant human adenosine A2B receptor				J Med Chem 49: 282-99 (2006) Article DOI: 10.1021/jm0506221 BindingDB Entry DOI: 10.7270/Q29K4CF5
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50410709 (CHEMBL201293) Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)N(CC(=O)Nc1ccc(Br)cc1)C=O Show InChI InChI=1S/C27H28BrN5O4/c1-3-13-32-23-15-22(30-25(23)26(36)33(14-4-2)27(32)37)18-5-11-21(12-6-18)31(17-34)16-24(35)29-20-9-7-19(28)8-10-20/h5-12,15,17,30H,3-4,13-14,16H2,1-2H3,(H,29,35)	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	35.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Binding affinity to recombinant human adenosine A2A receptor				J Med Chem 49: 282-99 (2006) Article DOI: 10.1021/jm0506221 BindingDB Entry DOI: 10.7270/Q29K4CF5
					More data for this Ligand-Target Pair