BDBM50410729 CHEMBL202767

SMILES: CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC(C)C(=O)Nc2ccc(OC)cc2)cc1

InChI Key: InChIKey=SYWJSKUGSUEULE-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 = 50410729   

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))	BDBM50410729 (CHEMBL202767) Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC(C)C(=O)Nc2ccc(OC)cc2)cc1 Show InChI InChI=1S/C28H32N4O5/c1-5-15-31-24-17-23(30-25(24)27(34)32(16-6-2)28(31)35)19-7-11-22(12-8-19)37-18(3)26(33)29-20-9-13-21(36-4)14-10-20/h7-14,17-18,30H,5-6,15-16H2,1-4H3,(H,29,33)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.13	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))	BDBM50410729 (CHEMBL202767) Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC(C)C(=O)Nc2ccc(OC)cc2)cc1 Show InChI InChI=1S/C28H32N4O5/c1-5-15-31-24-17-23(30-25(24)27(34)32(16-6-2)28(31)35)19-7-11-22(12-8-19)37-18(3)26(33)29-20-9-13-21(36-4)14-10-20/h7-14,17-18,30H,5-6,15-16H2,1-4H3,(H,29,33)	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	38.9	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