BDBM50196571 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2-(4-(hydroxymethyl)-1H-pyrazol-1-yl)-6-(quinolin-2-ylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol::CHEMBL232096

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc4ccccc4n3)nc(nc12)-n1cc(CO)cn1

InChI Key: InChIKey=SRIBBZYPMCZTHH-CIVUBGFFSA-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 = 50196571   

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))	BDBM50196571 ((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(Nc3ccc4ccccc4n3)nc(nc12)-n1cc(CO)cn1 Show InChI InChI=1S/C23H22N8O5/c32-9-12-7-25-31(8-12)23-28-20(27-16-6-5-13-3-1-2-4-14(13)26-16)17-21(29-23)30(11-24-17)22-19(35)18(34)15(10-33)36-22/h1-8,11,15,18-19,22,32-35H,9-10H2,(H,26,27,28,29)/t15-,18-,19-,22-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	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))	BDBM50196571 ((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(Nc3ccc4ccccc4n3)nc(nc12)-n1cc(CO)cn1 Show InChI InChI=1S/C23H22N8O5/c32-9-12-7-25-31(8-12)23-28-20(27-16-6-5-13-3-1-2-4-14(13)26-16)17-21(29-23)30(11-24-17)22-19(35)18(34)15(10-33)36-22/h1-8,11,15,18-19,22,32-35H,9-10H2,(H,26,27,28,29)/t15-,18-,19-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	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))	BDBM50196571 ((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(Nc3ccc4ccccc4n3)nc(nc12)-n1cc(CO)cn1 Show InChI InChI=1S/C23H22N8O5/c32-9-12-7-25-31(8-12)23-28-20(27-16-6-5-13-3-1-2-4-14(13)26-16)17-21(29-23)30(11-24-17)22-19(35)18(34)15(10-33)36-22/h1-8,11,15,18-19,22,32-35H,9-10H2,(H,26,27,28,29)/t15-,18-,19-,22-/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	239	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))	BDBM50196571 ((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(Nc3ccc4ccccc4n3)nc(nc12)-n1cc(CO)cn1 Show InChI InChI=1S/C23H22N8O5/c32-9-12-7-25-31(8-12)23-28-20(27-16-6-5-13-3-1-2-4-14(13)26-16)17-21(29-23)30(11-24-17)22-19(35)18(34)15(10-33)36-22/h1-8,11,15,18-19,22,32-35H,9-10H2,(H,26,27,28,29)/t15-,18-,19-,22-/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