BDBM50264213 (1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-iodobenzylamino)-purine]-2',3'-O-dihydroxybicyclo-[3.1.0]hexane::(1R,2R,3S,4R,5S)-4-(2-chloro-6-(3-iodobenzylamino)-9H-purin-9-yl)bicyclo[3.1.0]hexane-2,3-diol::CHEMBL490605

SMILES: O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12

InChI Key: InChIKey=GSPXPSPDVBRJRV-JHOKLZQASA-N

Data: 6 KI  1 IC50  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 = 50264213   

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))	BDBM50264213 ((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-iodobenzyl...) Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C18H17ClIN5O2/c19-18-23-16(21-6-8-2-1-3-9(20)4-8)12-17(24-18)25(7-22-12)13-10-5-11(10)14(26)15(13)27/h1-4,7,10-11,13-15,26-27H,5-6H2,(H,21,23,24)/t10-,11+,13+,14+,15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 form human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 16: 8546-56 (2008) Article DOI: 10.1016/j.bmc.2008.08.007 BindingDB Entry DOI: 10.7270/Q20R9P71
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50264213 ((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-iodobenzyl...) Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C18H17ClIN5O2/c19-18-23-16(21-6-8-2-1-3-9(20)4-8)12-17(24-18)25(7-22-12)13-10-5-11(10)14(26)15(13)27/h1-4,7,10-11,13-15,26-27H,5-6H2,(H,21,23,24)/t10-,11+,13+,14+,15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by liquid scintillation counting				J Med Chem 52: 7580-92 (2009) Article DOI: 10.1021/jm900426g BindingDB Entry DOI: 10.7270/Q2ZC82WM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50264213 ((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-iodobenzyl...) Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C18H17ClIN5O2/c19-18-23-16(21-6-8-2-1-3-9(20)4-8)12-17(24-18)25(7-22-12)13-10-5-11(10)14(26)15(13)27/h1-4,7,10-11,13-15,26-27H,5-6H2,(H,21,23,24)/t10-,11+,13+,14+,15-/m0/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	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]R-PIA form human adenosine A2A receptor expressed in HEK cells				Bioorg Med Chem 16: 8546-56 (2008) Article DOI: 10.1016/j.bmc.2008.08.007 BindingDB Entry DOI: 10.7270/Q20R9P71
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50264213 ((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-iodobenzyl...) Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C18H17ClIN5O2/c19-18-23-16(21-6-8-2-1-3-9(20)4-8)12-17(24-18)25(7-22-12)13-10-5-11(10)14(26)15(13)27/h1-4,7,10-11,13-15,26-27H,5-6H2,(H,21,23,24)/t10-,11+,13+,14+,15-/m0/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	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting				J Med Chem 52: 7580-92 (2009) Article DOI: 10.1021/jm900426g BindingDB Entry DOI: 10.7270/Q2ZC82WM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50264213 ((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-iodobenzyl...) Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C18H17ClIN5O2/c19-18-23-16(21-6-8-2-1-3-9(20)4-8)12-17(24-18)25(7-22-12)13-10-5-11(10)14(26)15(13)27/h1-4,7,10-11,13-15,26-27H,5-6H2,(H,21,23,24)/t10-,11+,13+,14+,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CCPA form human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 8546-56 (2008) Article DOI: 10.1016/j.bmc.2008.08.007 BindingDB Entry DOI: 10.7270/Q20R9P71
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50264213 ((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-iodobenzyl...) Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C18H17ClIN5O2/c19-18-23-16(21-6-8-2-1-3-9(20)4-8)12-17(24-18)25(7-22-12)13-10-5-11(10)14(26)15(13)27/h1-4,7,10-11,13-15,26-27H,5-6H2,(H,21,23,24)/t10-,11+,13+,14+,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by liquid scintillation counting				J Med Chem 52: 7580-92 (2009) Article DOI: 10.1021/jm900426g BindingDB Entry DOI: 10.7270/Q2ZC82WM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50264213 ((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-iodobenzyl...) Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C18H17ClIN5O2/c19-18-23-16(21-6-8-2-1-3-9(20)4-8)12-17(24-18)25(7-22-12)13-10-5-11(10)14(26)15(13)27/h1-4,7,10-11,13-15,26-27H,5-6H2,(H,21,23,24)/t10-,11+,13+,14+,15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29.8	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Antagonist activity at NECA-stimulated human adenosine A3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay				Bioorg Med Chem 16: 8546-56 (2008) Article DOI: 10.1016/j.bmc.2008.08.007 BindingDB Entry DOI: 10.7270/Q20R9P71
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50264213 ((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-iodobenzyl...) Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C18H17ClIN5O2/c19-18-23-16(21-6-8-2-1-3-9(20)4-8)12-17(24-18)25(7-22-12)13-10-5-11(10)14(26)15(13)27/h1-4,7,10-11,13-15,26-27H,5-6H2,(H,21,23,24)/t10-,11+,13+,14+,15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Agonist activity at human recombinant adenosine A3 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production tre...				J Med Chem 52: 7580-92 (2009) Article DOI: 10.1021/jm900426g BindingDB Entry DOI: 10.7270/Q2ZC82WM
					More data for this Ligand-Target Pair