BDBM50410719 CHEMBL201028

SMILES: CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC(C)C(=O)NCc2ccc(Cl)cc2)cc1

InChI Key: InChIKey=JWIJBCSHXRVNLA-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 = 50410719   

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))	BDBM50410719 (CHEMBL201028) Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC(C)C(=O)NCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C28H31ClN4O4/c1-4-14-32-24-16-23(31-25(24)27(35)33(15-5-2)28(32)36)20-8-12-22(13-9-20)37-18(3)26(34)30-17-19-6-10-21(29)11-7-19/h6-13,16,18,31H,4-5,14-15,17H2,1-3H3,(H,30,34)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.07	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))	BDBM50410719 (CHEMBL201028) Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC(C)C(=O)NCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C28H31ClN4O4/c1-4-14-32-24-16-23(31-25(24)27(35)33(15-5-2)28(32)36)20-8-12-22(13-9-20)37-18(3)26(34)30-17-19-6-10-21(29)11-7-19/h6-13,16,18,31H,4-5,14-15,17H2,1-3H3,(H,30,34)	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	46.8	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