BDBM50309483 CHEMBL590718::N-((2S,3S,4R,5R)-5-(6-(2,2-diphenylethylamino)-2-(2-(1-isopropyl-1H-imidazol-4-yl)ethylamino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)butyramide

SMILES: CCCC(=O)N[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3cn(cn3)C(C)C)nc12

InChI Key: InChIKey=CIMXZVURQFXWNX-MLVZTVGHSA-N

Data: 1 KI  1 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 = 50309483   

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))	BDBM50309483 (CHEMBL590718 | N-((2S,3S,4R,5R)-5-(6-(2,2-diphenyl...) Show SMILES CCCC(=O)N[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3cn(cn3)C(C)C)nc12 |r| Show InChI InChI=1S/C36H45N9O3/c1-4-11-30(46)41-28-18-29(33(48)32(28)47)45-22-40-31-34(38-19-27(24-12-7-5-8-13-24)25-14-9-6-10-15-25)42-36(43-35(31)45)37-17-16-26-20-44(21-39-26)23(2)3/h5-10,12-15,20-23,27-29,32-33,47-48H,4,11,16-19H2,1-3H3,(H,41,46)(H2,37,38,42,43)/t28-,29+,32+,33-/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 Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in Sf21 cells co-expressing GalphaS2, beta4, gamma2				Bioorg Med Chem Lett 20: 1219-24 (2010) Article DOI: 10.1016/j.bmcl.2009.11.131 BindingDB Entry DOI: 10.7270/Q2X92BDC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50309483 (CHEMBL590718 | N-((2S,3S,4R,5R)-5-(6-(2,2-diphenyl...) Show SMILES CCCC(=O)N[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3cn(cn3)C(C)C)nc12 |r| Show InChI InChI=1S/C36H45N9O3/c1-4-11-30(46)41-28-18-29(33(48)32(28)47)45-22-40-31-34(38-19-27(24-12-7-5-8-13-24)25-14-9-6-10-15-25)42-36(43-35(31)45)37-17-16-26-20-44(21-39-26)23(2)3/h5-10,12-15,20-23,27-29,32-33,47-48H,4,11,16-19H2,1-3H3,(H,41,46)(H2,37,38,42,43)/t28-,29+,32+,33-/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 Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at adenosine A2A receptor in human neutrophils assessed as inhibition of fMLP-induced reactive oxygen species release by chemilumine...				Bioorg Med Chem Lett 20: 1219-24 (2010) Article DOI: 10.1016/j.bmcl.2009.11.131 BindingDB Entry DOI: 10.7270/Q2X92BDC
					More data for this Ligand-Target Pair