BDBM50196560 (2R,3R,4S,5R)-2-(6-(bicyclo[2.2.1]heptan-1-ylamino)-2-(1H-pyrazol-1-yl)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::CHEMBL399214

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC34CCC(CC3)C4)nc(nc12)-n1cccn1

InChI Key: InChIKey=WIEQHMVCAWHWJC-HRXWTSITSA-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 = 50196560   

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))	BDBM50196560 ((2R,3R,4S,5R)-2-(6-(bicyclo[2.2.1]heptan-1-ylamino...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC34CCC(CC3)C4)nc(nc12)-n1cccn1 Show InChI InChI=1S/C20H25N7O4/c28-9-12-14(29)15(30)18(31-12)26-10-21-13-16(25-20-4-2-11(8-20)3-5-20)23-19(24-17(13)26)27-7-1-6-22-27/h1,6-7,10-12,14-15,18,28-30H,2-5,8-9H2,(H,23,24,25)/t11?,12-,14-,15-,18-,20?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	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))	BDBM50196560 ((2R,3R,4S,5R)-2-(6-(bicyclo[2.2.1]heptan-1-ylamino...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC34CCC(CC3)C4)nc(nc12)-n1cccn1 Show InChI InChI=1S/C20H25N7O4/c28-9-12-14(29)15(30)18(31-12)26-10-21-13-16(25-20-4-2-11(8-20)3-5-20)23-19(24-17(13)26)27-7-1-6-22-27/h1,6-7,10-12,14-15,18,28-30H,2-5,8-9H2,(H,23,24,25)/t11?,12-,14-,15-,18-,20?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.27E+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 [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))	BDBM50196560 ((2R,3R,4S,5R)-2-(6-(bicyclo[2.2.1]heptan-1-ylamino...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC34CCC(CC3)C4)nc(nc12)-n1cccn1 Show InChI InChI=1S/C20H25N7O4/c28-9-12-14(29)15(30)18(31-12)26-10-21-13-16(25-20-4-2-11(8-20)3-5-20)23-19(24-17(13)26)27-7-1-6-22-27/h1,6-7,10-12,14-15,18,28-30H,2-5,8-9H2,(H,23,24,25)/t11?,12-,14-,15-,18-,20?/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))	BDBM50196560 ((2R,3R,4S,5R)-2-(6-(bicyclo[2.2.1]heptan-1-ylamino...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC34CCC(CC3)C4)nc(nc12)-n1cccn1 Show InChI InChI=1S/C20H25N7O4/c28-9-12-14(29)15(30)18(31-12)26-10-21-13-16(25-20-4-2-11(8-20)3-5-20)23-19(24-17(13)26)27-7-1-6-22-27/h1,6-7,10-12,14-15,18,28-30H,2-5,8-9H2,(H,23,24,25)/t11?,12-,14-,15-,18-,20?/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