BDBM50196566 CHEMBL234974::ethyl 1-(6-(bicyclo[2.2.1]heptan-1-ylamino)-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-9H-purin-2-yl)-1H-pyrazole-4-carboxylate

SMILES: CCOC(=O)c1cnn(c1)-c1nc(NC23CCC(CC2)C3)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

InChI Key: InChIKey=FVGBWQOWJZDNIS-VIUNQPMXSA-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 = 50196566   

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))	BDBM50196566 (CHEMBL234974 | ethyl 1-(6-(bicyclo[2.2.1]heptan-1-...) Show SMILES CCOC(=O)c1cnn(c1)-c1nc(NC23CCC(CC2)C3)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C23H29N7O6/c1-2-35-21(34)13-8-25-30(9-13)22-26-18(28-23-5-3-12(7-23)4-6-23)15-19(27-22)29(11-24-15)20-17(33)16(32)14(10-31)36-20/h8-9,11-12,14,16-17,20,31-33H,2-7,10H2,1H3,(H,26,27,28)/t12?,14-,16-,17-,20-,23?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]CPX from adenosine A1 receptor in DDT membranes				Bioorg Med Chem Lett 17: 161-6 (2006) Article DOI: 10.1016/j.bmcl.2006.09.065 BindingDB Entry DOI: 10.7270/Q2KK9BDP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50196566 (CHEMBL234974 | ethyl 1-(6-(bicyclo[2.2.1]heptan-1-...) Show SMILES CCOC(=O)c1cnn(c1)-c1nc(NC23CCC(CC2)C3)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C23H29N7O6/c1-2-35-21(34)13-8-25-30(9-13)22-26-18(28-23-5-3-12(7-23)4-6-23)15-19(27-22)29(11-24-15)20-17(33)16(32)14(10-31)36-20/h8-9,11-12,14,16-17,20,31-33H,2-7,10H2,1H3,(H,26,27,28)/t12?,14-,16-,17-,20-,23?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [125I]ABMECA from adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 161-6 (2006) Article DOI: 10.1016/j.bmcl.2006.09.065 BindingDB Entry DOI: 10.7270/Q2KK9BDP
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50196566 (CHEMBL234974 | ethyl 1-(6-(bicyclo[2.2.1]heptan-1-...) Show SMILES CCOC(=O)c1cnn(c1)-c1nc(NC23CCC(CC2)C3)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C23H29N7O6/c1-2-35-21(34)13-8-25-30(9-13)22-26-18(28-23-5-3-12(7-23)4-6-23)15-19(27-22)29(11-24-15)20-17(33)16(32)14(10-31)36-20/h8-9,11-12,14,16-17,20,31-33H,2-7,10H2,1H3,(H,26,27,28)/t12?,14-,16-,17-,20-,23?/m1/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from A2A adenosine A2A receptor expressed in HEK cells				Bioorg Med Chem Lett 17: 161-6 (2006) Article DOI: 10.1016/j.bmcl.2006.09.065 BindingDB Entry DOI: 10.7270/Q2KK9BDP
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50196566 (CHEMBL234974 | ethyl 1-(6-(bicyclo[2.2.1]heptan-1-...) Show SMILES CCOC(=O)c1cnn(c1)-c1nc(NC23CCC(CC2)C3)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C23H29N7O6/c1-2-35-21(34)13-8-25-30(9-13)22-26-18(28-23-5-3-12(7-23)4-6-23)15-19(27-22)29(11-24-15)20-17(33)16(32)14(10-31)36-20/h8-9,11-12,14,16-17,20,31-33H,2-7,10H2,1H3,(H,26,27,28)/t12?,14-,16-,17-,20-,23?/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from adenosine A2B receptor expressed in HEK cells				Bioorg Med Chem Lett 17: 161-6 (2006) Article DOI: 10.1016/j.bmcl.2006.09.065 BindingDB Entry DOI: 10.7270/Q2KK9BDP
					More data for this Ligand-Target Pair