BDBM50196561 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2-(4-(hydroxymethyl)-1H-pyrazol-1-yl)-6-(pyridin-4-ylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol::CHEMBL399621

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccncc3)nc(nc12)-n1cc(CO)cn1

InChI Key: InChIKey=PIOQPIHAFHAILU-SCFUHWHPSA-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 = 50196561   

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 A3 (Homo sapiens (Human))	BDBM50196561 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2-(4-(hydroxyme...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccncc3)nc(nc12)-n1cc(CO)cn1 Show InChI InChI=1S/C19H20N8O5/c28-7-10-5-22-27(6-10)19-24-16(23-11-1-3-20-4-2-11)13-17(25-19)26(9-21-13)18-15(31)14(30)12(8-29)32-18/h1-6,9,12,14-15,18,28-31H,7-8H2,(H,20,23,24,25)/t12-,14-,15-,18-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	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 A1 (Homo sapiens (Human))	BDBM50196561 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2-(4-(hydroxyme...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccncc3)nc(nc12)-n1cc(CO)cn1 Show InChI InChI=1S/C19H20N8O5/c28-7-10-5-22-27(6-10)19-24-16(23-11-1-3-20-4-2-11)13-17(25-19)26(9-21-13)18-15(31)14(30)12(8-29)32-18/h1-6,9,12,14-15,18,28-31H,7-8H2,(H,20,23,24,25)/t12-,14-,15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	134	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 A2a (Homo sapiens (Human))	BDBM50196561 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2-(4-(hydroxyme...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccncc3)nc(nc12)-n1cc(CO)cn1 Show InChI InChI=1S/C19H20N8O5/c28-7-10-5-22-27(6-10)19-24-16(23-11-1-3-20-4-2-11)13-17(25-19)26(9-21-13)18-15(31)14(30)12(8-29)32-18/h1-6,9,12,14-15,18,28-31H,7-8H2,(H,20,23,24,25)/t12-,14-,15-,18-/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	1.48E+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))	BDBM50196561 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2-(4-(hydroxyme...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccncc3)nc(nc12)-n1cc(CO)cn1 Show InChI InChI=1S/C19H20N8O5/c28-7-10-5-22-27(6-10)19-24-16(23-11-1-3-20-4-2-11)13-17(25-19)26(9-21-13)18-15(31)14(30)12(8-29)32-18/h1-6,9,12,14-15,18,28-31H,7-8H2,(H,20,23,24,25)/t12-,14-,15-,18-/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