BDBM50179052 (2S,3S,4R,5R)-5-(6-{bis[(4-nitrophenyl)carbamoyl]amino}-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::CHEMBL203958

SMILES: CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N(C(=O)Nc1ccc(cc1)[N+]([O-])=O)C(=O)Nc1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=JMUWJCGJJPZQEP-CMCWBKRRSA-N

Data: 4 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 4 hits for monomerid = 50179052   

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 (Rattus norvegicus (rat))	BDBM50179052 ((2S,3S,4R,5R)-5-(6-{bis[(4-nitrophenyl)carbamoyl]a...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N(C(=O)Nc1ccc(cc1)[N+]([O-])=O)C(=O)Nc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C26H24N10O10/c1-2-27-23(39)20-18(37)19(38)24(46-20)33-12-30-17-21(33)28-11-29-22(17)34(25(40)31-13-3-7-15(8-4-13)35(42)43)26(41)32-14-5-9-16(10-6-14)36(44)45/h3-12,18-20,24,37-38H,2H2,1H3,(H,27,39)(H,31,40)(H,32,41)/t18-,19+,20-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor in rat brain membranes using [3H]R-PIA.				J Med Chem 41: 3174-85 (1998) Article DOI: 10.1021/jm980147p BindingDB Entry DOI: 10.7270/Q2765G10
					More data for this Ligand-Target Pair
Adenosine receptor A2a and A3 (Rattus norvegicus)	BDBM50179052 ((2S,3S,4R,5R)-5-(6-{bis[(4-nitrophenyl)carbamoyl]a...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N(C(=O)Nc1ccc(cc1)[N+]([O-])=O)C(=O)Nc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C26H24N10O10/c1-2-27-23(39)20-18(37)19(38)24(46-20)33-12-30-17-21(33)28-11-29-22(17)34(25(40)31-13-3-7-15(8-4-13)35(42)43)26(41)32-14-5-9-16(10-6-14)36(44)45/h3-12,18-20,24,37-38H,2H2,1H3,(H,27,39)(H,31,40)(H,32,41)/t18-,19+,20-,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	168	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vigo University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1291-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.063 BindingDB Entry DOI: 10.7270/Q2959H4J
					More data for this Ligand-Target Pair
Adenosine receptor A2a and A3 (Rattus norvegicus)	BDBM50179052 ((2S,3S,4R,5R)-5-(6-{bis[(4-nitrophenyl)carbamoyl]a...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N(C(=O)Nc1ccc(cc1)[N+]([O-])=O)C(=O)Nc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C26H24N10O10/c1-2-27-23(39)20-18(37)19(38)24(46-20)33-12-30-17-21(33)28-11-29-22(17)34(25(40)31-13-3-7-15(8-4-13)35(42)43)26(41)32-14-5-9-16(10-6-14)36(44)45/h3-12,18-20,24,37-38H,2H2,1H3,(H,27,39)(H,31,40)(H,32,41)/t18-,19+,20-,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	168	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity against rat adenosine A3 receptor expressed in CHO cells using [125I]-.				J Med Chem 41: 3174-85 (1998) Article DOI: 10.1021/jm980147p BindingDB Entry DOI: 10.7270/Q2765G10
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50179052 ((2S,3S,4R,5R)-5-(6-{bis[(4-nitrophenyl)carbamoyl]a...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N(C(=O)Nc1ccc(cc1)[N+]([O-])=O)C(=O)Nc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C26H24N10O10/c1-2-27-23(39)20-18(37)19(38)24(46-20)33-12-30-17-21(33)28-11-29-22(17)34(25(40)31-13-3-7-15(8-4-13)35(42)43)26(41)32-14-5-9-16(10-6-14)36(44)45/h3-12,18-20,24,37-38H,2H2,1H3,(H,27,39)(H,31,40)(H,32,41)/t18-,19+,20-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.53E+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 Binding affinity against adenosine A2A receptor in rat striatal membranes using [3H]-CGS- 21680.				J Med Chem 41: 3174-85 (1998) Article DOI: 10.1021/jm980147p BindingDB Entry DOI: 10.7270/Q2765G10
					More data for this Ligand-Target Pair