BDBM50410730 CHEMBL201008

SMILES: CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1

InChI Key: InChIKey=ARQDPBXHSFRPRH-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 = 50410730   

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))	BDBM50410730 (CHEMBL201008) Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1 Show InChI InChI=1S/C31H37N5O6S/c1-3-15-35-27-19-26(33-29(27)30(38)36(16-4-2)31(35)39)23-9-13-25(14-10-23)42-20-28(37)32-24-11-7-22(8-12-24)21-43(40,41)34-17-5-6-18-34/h7-14,19,33H,3-6,15-18,20-21H2,1-2H3,(H,32,37)	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))	BDBM50410730 (CHEMBL201008) Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1 Show InChI InChI=1S/C31H37N5O6S/c1-3-15-35-27-19-26(33-29(27)30(38)36(16-4-2)31(35)39)23-9-13-25(14-10-23)42-20-28(37)32-24-11-7-22(8-12-24)21-43(40,41)34-17-5-6-18-34/h7-14,19,33H,3-6,15-18,20-21H2,1-2H3,(H,32,37)	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	52.5	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