BDBM50233809 (2S,3S,4R,5R)-5-(6-(2,2-diphenylethylamino)-2-((3-(2-(piperidin-1-yl)ethyl)ureido)methyl)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide::1-((6-(2,2-diphenylethylamino)-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-2-yl)methyl)-3-(2-(piperidin-1-yl)ethyl)urea::CHEMBL401914

SMILES: CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(CNC(=O)NCCN3CCCCC3)nc12

InChI Key: InChIKey=VJSKJJGCPATTMA-CTMYTVLESA-N

Data: 2 IC50

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 = 50233809   

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 A2a (Homo sapiens (Human))	BDBM50233809 ((2S,3S,4R,5R)-5-(6-(2,2-diphenylethylamino)-2-((3-...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(CNC(=O)NCCN3CCCCC3)nc12 Show InChI InChI=1S/C35H45N9O5/c1-2-36-33(47)30-28(45)29(46)34(49-30)44-22-40-27-31(38-20-25(23-12-6-3-7-13-23)24-14-8-4-9-15-24)41-26(42-32(27)44)21-39-35(48)37-16-19-43-17-10-5-11-18-43/h3-4,6-9,12-15,22,25,28-30,34,45-46H,2,5,10-11,16-21H2,1H3,(H,36,47)(H2,37,39,48)(H,38,41,42)/t28-,29+,30-,34+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at adenosine A2A receptor				Bioorg Med Chem Lett 18: 1284-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.033 BindingDB Entry DOI: 10.7270/Q22808F4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50233809 ((2S,3S,4R,5R)-5-(6-(2,2-diphenylethylamino)-2-((3-...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(CNC(=O)NCCN3CCCCC3)nc12 Show InChI InChI=1S/C35H45N9O5/c1-2-36-33(47)30-28(45)29(46)34(49-30)44-22-40-27-31(38-20-25(23-12-6-3-7-13-23)24-14-8-4-9-15-24)41-26(42-32(27)44)21-39-35(48)37-16-19-43-17-10-5-11-18-43/h3-4,6-9,12-15,22,25,28-30,34,45-46H,2,5,10-11,16-21H2,1H3,(H,36,47)(H2,37,39,48)(H,38,41,42)/t28-,29+,30-,34+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Agonist activity at adenosine A2A receptor in fMLP-stimulated human neutrophils assessed as inhibition of superoxide production by colorimetric analy...				Bioorg Med Chem Lett 19: 4471-5 (2009) Article DOI: 10.1016/j.bmcl.2009.05.027 BindingDB Entry DOI: 10.7270/Q2ST7Q0C
					More data for this Ligand-Target Pair