BDBM50224759 (2R,3R,4S,5R)-2-(2-chloro-6-((R)-tetrahydrofuran-3-ylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::CHEMBL252198

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12

InChI Key: InChIKey=XEAJNSCYKKKRRS-KWGHVAAJSA-N

Data: 7 KI  1 EC50

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 8 hits for monomerid = 50224759   

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 A1 receptor (BOVINE)	BDBM50224759 ((2R,3R,4S,5R)-2-(2-chloro-6-((R)-tetrahydrofuran-3...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12 Show InChI InChI=1S/C14H18ClN5O5/c15-14-18-11(17-6-1-2-24-4-6)8-12(19-14)20(5-16-8)13-10(23)9(22)7(3-21)25-13/h5-7,9-10,13,21-23H,1-4H2,(H,17,18,19)/t6-,7-,9-,10-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in bovine cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50224759 ((2R,3R,4S,5R)-2-(2-chloro-6-((R)-tetrahydrofuran-3...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12 Show InChI InChI=1S/C14H18ClN5O5/c15-14-18-11(17-6-1-2-24-4-6)8-12(19-14)20(5-16-8)13-10(23)9(22)7(3-21)25-13/h5-7,9-10,13,21-23H,1-4H2,(H,17,18,19)/t6-,7-,9-,10-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine A1 receptor (GUINEA PIG)	BDBM50224759 ((2R,3R,4S,5R)-2-(2-chloro-6-((R)-tetrahydrofuran-3...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12 Show InChI InChI=1S/C14H18ClN5O5/c15-14-18-11(17-6-1-2-24-4-6)8-12(19-14)20(5-16-8)13-10(23)9(22)7(3-21)25-13/h5-7,9-10,13,21-23H,1-4H2,(H,17,18,19)/t6-,7-,9-,10-,13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50224759 ((2R,3R,4S,5R)-2-(2-chloro-6-((R)-tetrahydrofuran-3...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12 Show InChI InChI=1S/C14H18ClN5O5/c15-14-18-11(17-6-1-2-24-4-6)8-12(19-14)20(5-16-8)13-10(23)9(22)7(3-21)25-13/h5-7,9-10,13,21-23H,1-4H2,(H,17,18,19)/t6-,7-,9-,10-,13-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	211	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Agonist activity at human recombinant adenosine A2B receptor expressed in CHO cells assessed as activation of adenylyl cyclase activity				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50224759 ((2R,3R,4S,5R)-2-(2-chloro-6-((R)-tetrahydrofuran-3...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12 Show InChI InChI=1S/C14H18ClN5O5/c15-14-18-11(17-6-1-2-24-4-6)8-12(19-14)20(5-16-8)13-10(23)9(22)7(3-21)25-13/h5-7,9-10,13,21-23H,1-4H2,(H,17,18,19)/t6-,7-,9-,10-,13-/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	4.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in CHO cells				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine A1 receptor (BOVINE)	BDBM50224759 ((2R,3R,4S,5R)-2-(2-chloro-6-((R)-tetrahydrofuran-3...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12 Show InChI InChI=1S/C14H18ClN5O5/c15-14-18-11(17-6-1-2-24-4-6)8-12(19-14)20(5-16-8)13-10(23)9(22)7(3-21)25-13/h5-7,9-10,13,21-23H,1-4H2,(H,17,18,19)/t6-,7-,9-,10-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.69E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine A1 receptor in bovine striatum membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50224759 ((2R,3R,4S,5R)-2-(2-chloro-6-((R)-tetrahydrofuran-3...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12 Show InChI InChI=1S/C14H18ClN5O5/c15-14-18-11(17-6-1-2-24-4-6)8-12(19-14)20(5-16-8)13-10(23)9(22)7(3-21)25-13/h5-7,9-10,13,21-23H,1-4H2,(H,17,18,19)/t6-,7-,9-,10-,13-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.46E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine A1 receptor (GUINEA PIG)	BDBM50224759 ((2R,3R,4S,5R)-2-(2-chloro-6-((R)-tetrahydrofuran-3...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12 Show InChI InChI=1S/C14H18ClN5O5/c15-14-18-11(17-6-1-2-24-4-6)8-12(19-14)20(5-16-8)13-10(23)9(22)7(3-21)25-13/h5-7,9-10,13,21-23H,1-4H2,(H,17,18,19)/t6-,7-,9-,10-,13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	18.3	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Agonist activity at adenosine A1 receptor in pig cortical membrane assessed as stimulation of GTPgammaS binding				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair