BDBM50205583 (2S,3S,4R,5R)-5-(6-(4-(2-(benzylamino)-2-oxoethoxy)phenylamino)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide::1-deoxy-1-[6-{4-[(benzylcarbamoyl)-methoxy]-phenylamino}-9H-purin-9-yl]-N-beta-D-ribofuranuronamide::CHEMBL375501

SMILES: CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NCc4ccccc4)cc3)ncnc12

InChI Key: InChIKey=QHELZZNMVAGGIB-NBCVKUGOSA-N

Data: 3 KI  2 EC50

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 5 hits for monomerid = 50205583   

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 A1 (Homo sapiens (Human))	BDBM50205583 ((2S,3S,4R,5R)-5-(6-(4-(2-(benzylamino)-2-oxoethoxy...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NCc4ccccc4)cc3)ncnc12 Show InChI InChI=1S/C27H29N7O6/c1-2-28-26(38)23-21(36)22(37)27(40-23)34-15-32-20-24(30-14-31-25(20)34)33-17-8-10-18(11-9-17)39-13-19(35)29-12-16-6-4-3-5-7-16/h3-11,14-15,21-23,27,36-37H,2,12-13H2,1H3,(H,28,38)(H,29,35)(H,30,31,33)/t21-,22+,23-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]CHA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205583 ((2S,3S,4R,5R)-5-(6-(4-(2-(benzylamino)-2-oxoethoxy...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NCc4ccccc4)cc3)ncnc12 Show InChI InChI=1S/C27H29N7O6/c1-2-28-26(38)23-21(36)22(37)27(40-23)34-15-32-20-24(30-14-31-25(20)34)33-17-8-10-18(11-9-17)39-13-19(35)29-12-16-6-4-3-5-7-16/h3-11,14-15,21-23,27,36-37H,2,12-13H2,1H3,(H,28,38)(H,29,35)(H,30,31,33)/t21-,22+,23-,27+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	82.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50205583 ((2S,3S,4R,5R)-5-(6-(4-(2-(benzylamino)-2-oxoethoxy...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NCc4ccccc4)cc3)ncnc12 Show InChI InChI=1S/C27H29N7O6/c1-2-28-26(38)23-21(36)22(37)27(40-23)34-15-32-20-24(30-14-31-25(20)34)33-17-8-10-18(11-9-17)39-13-19(35)29-12-16-6-4-3-5-7-16/h3-11,14-15,21-23,27,36-37H,2,12-13H2,1H3,(H,28,38)(H,29,35)(H,30,31,33)/t21-,22+,23-,27+/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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50205583 ((2S,3S,4R,5R)-5-(6-(4-(2-(benzylamino)-2-oxoethoxy...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NCc4ccccc4)cc3)ncnc12 Show InChI InChI=1S/C27H29N7O6/c1-2-28-26(38)23-21(36)22(37)27(40-23)34-15-32-20-24(30-14-31-25(20)34)33-17-8-10-18(11-9-17)39-13-19(35)29-12-16-6-4-3-5-7-16/h3-11,14-15,21-23,27,36-37H,2,12-13H2,1H3,(H,28,38)(H,29,35)(H,30,31,33)/t21-,22+,23-,27+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.67E+6	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of adenylate cyclase				J Med Chem 51: 2088-99 (2008) Article DOI: 10.1021/jm701442d BindingDB Entry DOI: 10.7270/Q2R49RNV
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50205583 ((2S,3S,4R,5R)-5-(6-(4-(2-(benzylamino)-2-oxoethoxy...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NCc4ccccc4)cc3)ncnc12 Show InChI InChI=1S/C27H29N7O6/c1-2-28-26(38)23-21(36)22(37)27(40-23)34-15-32-20-24(30-14-31-25(20)34)33-17-8-10-18(11-9-17)39-13-19(35)29-12-16-6-4-3-5-7-16/h3-11,14-15,21-23,27,36-37H,2,12-13H2,1H3,(H,28,38)(H,29,35)(H,30,31,33)/t21-,22+,23-,27+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	150	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production				Bioorg Med Chem 15: 2514-27 (2007) Article DOI: 10.1016/j.bmc.2007.01.055 BindingDB Entry DOI: 10.7270/Q2R78G14
					More data for this Ligand-Target Pair