BDBM50150765 (2R,3R,4S,5R)-2-{6-Amino-2-[(S)-2-(4-bromo-phenyl)-1-hydroxymethyl-ethylamino]-purin-9-yl}-5-(2-ethyl-2H-tetrazol-5-yl)-tetrahydro-furan-3,4-diol::CHEMBL361925

SMILES: CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Br)cc3)nc12

InChI Key: InChIKey=SSGCBXCKJQWPJL-NIQZGXKPSA-N

Data: 4 KI  4 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 = 50150765   

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 A2a (Homo sapiens (Human))	BDBM50150765 ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-2-(4-bromo-phenyl)...) Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Br)cc3)nc12 Show InChI InChI=1S/C21H25BrN10O4/c1-2-32-29-18(28-30-32)16-14(34)15(35)20(36-16)31-9-24-13-17(23)26-21(27-19(13)31)25-12(8-33)7-10-3-5-11(22)6-4-10/h3-6,9,12,14-16,20,33-35H,2,7-8H2,1H3,(H3,23,25,26,27)/t12-,14-,15+,16-,20+/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	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IIQAB (CSIC) Curated by ChEMBL					Assay Description Inhibition of [3H]ZM-241385 binding to human adenosine A2A receptor expressed in HeLa cells				J Med Chem 47: 4041-53 (2004) Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50150765 ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-2-(4-bromo-phenyl)...) Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Br)cc3)nc12 Show InChI InChI=1S/C21H25BrN10O4/c1-2-32-29-18(28-30-32)16-14(34)15(35)20(36-16)31-9-24-13-17(23)26-21(27-19(13)31)25-12(8-33)7-10-3-5-11(22)6-4-10/h3-6,9,12,14-16,20,33-35H,2,7-8H2,1H3,(H3,23,25,26,27)/t12-,14-,15+,16-,20+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IIQAB (CSIC) Curated by ChEMBL					Assay Description Inhibition of [3H]NECA binding to human adenosine A3 receptor expressed in HeLa cells				J Med Chem 47: 4041-53 (2004) Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50150765 ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-2-(4-bromo-phenyl)...) Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Br)cc3)nc12 Show InChI InChI=1S/C21H25BrN10O4/c1-2-32-29-18(28-30-32)16-14(34)15(35)20(36-16)31-9-24-13-17(23)26-21(27-19(13)31)25-12(8-33)7-10-3-5-11(22)6-4-10/h3-6,9,12,14-16,20,33-35H,2,7-8H2,1H3,(H3,23,25,26,27)/t12-,14-,15+,16-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IIQAB (CSIC) Curated by ChEMBL					Assay Description Inhibition of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cells				J Med Chem 47: 4041-53 (2004) Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50150765 ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-2-(4-bromo-phenyl)...) Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Br)cc3)nc12 Show InChI InChI=1S/C21H25BrN10O4/c1-2-32-29-18(28-30-32)16-14(34)15(35)20(36-16)31-9-24-13-17(23)26-21(27-19(13)31)25-12(8-33)7-10-3-5-11(22)6-4-10/h3-6,9,12,14-16,20,33-35H,2,7-8H2,1H3,(H3,23,25,26,27)/t12-,14-,15+,16-,20+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IIQAB (CSIC) Curated by ChEMBL					Assay Description Inhibition of [3H]DPCPX binding to human adenosine A2B receptor expressed in HEK293 cells				J Med Chem 47: 4041-53 (2004) Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50150765 ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-2-(4-bromo-phenyl)...) Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Br)cc3)nc12 Show InChI InChI=1S/C21H25BrN10O4/c1-2-32-29-18(28-30-32)16-14(34)15(35)20(36-16)31-9-24-13-17(23)26-21(27-19(13)31)25-12(8-33)7-10-3-5-11(22)6-4-10/h3-6,9,12,14-16,20,33-35H,2,7-8H2,1H3,(H3,23,25,26,27)/t12-,14-,15+,16-,20+/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	n/a	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a
IIQAB (CSIC) Curated by ChEMBL					Assay Description Potency against cAMP formation in CHO cells expressing recombinant human A2A receptor				J Med Chem 47: 4041-53 (2004) Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50150765 ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-2-(4-bromo-phenyl)...) Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Br)cc3)nc12 Show InChI InChI=1S/C21H25BrN10O4/c1-2-32-29-18(28-30-32)16-14(34)15(35)20(36-16)31-9-24-13-17(23)26-21(27-19(13)31)25-12(8-33)7-10-3-5-11(22)6-4-10/h3-6,9,12,14-16,20,33-35H,2,7-8H2,1H3,(H3,23,25,26,27)/t12-,14-,15+,16-,20+/m0/s1	NCI pathway 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	560	n/a	n/a	n/a	n/a
IIQAB (CSIC) Curated by ChEMBL					Assay Description Potency against cAMP formation in CHO cells expressing recombinant human A2B receptor				J Med Chem 47: 4041-53 (2004) Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50150765 ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-2-(4-bromo-phenyl)...) Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Br)cc3)nc12 Show InChI InChI=1S/C21H25BrN10O4/c1-2-32-29-18(28-30-32)16-14(34)15(35)20(36-16)31-9-24-13-17(23)26-21(27-19(13)31)25-12(8-33)7-10-3-5-11(22)6-4-10/h3-6,9,12,14-16,20,33-35H,2,7-8H2,1H3,(H3,23,25,26,27)/t12-,14-,15+,16-,20+/m0/s1	NCI pathway 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	1.30E+3	n/a	n/a	n/a	n/a
IIQAB (CSIC) Curated by ChEMBL					Assay Description Relative efficacy against phenylephrine precontracted tissue relaxation in Guinea pig aorta				J Med Chem 47: 4041-53 (2004) Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50150765 ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-2-(4-bromo-phenyl)...) Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Br)cc3)nc12 Show InChI InChI=1S/C21H25BrN10O4/c1-2-32-29-18(28-30-32)16-14(34)15(35)20(36-16)31-9-24-13-17(23)26-21(27-19(13)31)25-12(8-33)7-10-3-5-11(22)6-4-10/h3-6,9,12,14-16,20,33-35H,2,7-8H2,1H3,(H3,23,25,26,27)/t12-,14-,15+,16-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.70	n/a	n/a	n/a	n/a
IIQAB (CSIC) Curated by ChEMBL					Assay Description Efficacy against phenylephrine precontracted tissue relaxation in rat aorta				J Med Chem 47: 4041-53 (2004) Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9
					More data for this Ligand-Target Pair