BDBM50179043 1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-2-iodo-9H-purin-6-yl)-3-(4-methoxyphenyl)urea::CHEMBL379472

SMILES: CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(I)nc12

InChI Key: InChIKey=ZPCRNMJTKFIDSH-MOROJQBDSA-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 = 50179043   

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))	BDBM50179043 (1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(I)nc12 Show InChI InChI=1S/C20H22IN7O6/c1-3-22-17(31)14-12(29)13(30)18(34-14)28-8-23-11-15(25-19(21)27-16(11)28)26-20(32)24-9-4-6-10(33-2)7-5-9/h4-8,12-14,18,29-30H,3H2,1-2H3,(H,22,31)(H2,24,25,26,27,32)/t12-,13+,14-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	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)	BDBM50179043 (1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(I)nc12 Show InChI InChI=1S/C20H22IN7O6/c1-3-22-17(31)14-12(29)13(30)18(34-14)28-8-23-11-15(25-19(21)27-16(11)28)26-20(32)24-9-4-6-10(33-2)7-5-9/h4-8,12-14,18,29-30H,3H2,1-2H3,(H,22,31)(H2,24,25,26,27,32)/t12-,13+,14-,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	251	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)	BDBM50179043 (1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(I)nc12 Show InChI InChI=1S/C20H22IN7O6/c1-3-22-17(31)14-12(29)13(30)18(34-14)28-8-23-11-15(25-19(21)27-16(11)28)26-20(32)24-9-4-6-10(33-2)7-5-9/h4-8,12-14,18,29-30H,3H2,1-2H3,(H,22,31)(H2,24,25,26,27,32)/t12-,13+,14-,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	251	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))	BDBM50179043 (1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(I)nc12 Show InChI InChI=1S/C20H22IN7O6/c1-3-22-17(31)14-12(29)13(30)18(34-14)28-8-23-11-15(25-19(21)27-16(11)28)26-20(32)24-9-4-6-10(33-2)7-5-9/h4-8,12-14,18,29-30H,3H2,1-2H3,(H,22,31)(H2,24,25,26,27,32)/t12-,13+,14-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	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