BDBM50205729 (2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(methoxyamino)-2-(pyridin-2-ylethynyl)-9H-purin-9-yl)-N-methyltetrahydrofuran-2-carboxamide::CHEMBL223514::N6-methoxy-2-[(2-pyridinyl)ethynyl]-5'-N-methylcarboxamidoadenosine

SMILES: CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccn1

InChI Key: InChIKey=MYYKMRQUGDDSHS-QCUYGVNKSA-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 = 50205729   

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))	BDBM50205729 ((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(methoxyamino)-2-...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccn1 Show InChI InChI=1S/C19H19N7O5/c1-20-18(29)15-13(27)14(28)19(31-15)26-9-22-12-16(25-30-2)23-11(24-17(12)26)7-6-10-5-3-4-8-21-10/h3-5,8-9,13-15,19,27-28H,1-2H3,(H,20,29)(H,23,24,25)/t13-,14+,15-,19+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity to human adenosine A3 receptor				Bioorg Med Chem 18: 7923-30 (2010) Article DOI: 10.1016/j.bmc.2010.09.038 BindingDB Entry DOI: 10.7270/Q22J6C3X
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205729 ((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(methoxyamino)-2-...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccn1 Show InChI InChI=1S/C19H19N7O5/c1-20-18(29)15-13(27)14(28)19(31-15)26-9-22-12-16(25-30-2)23-11(24-17(12)26)7-6-10-5-3-4-8-21-10/h3-5,8-9,13-15,19,27-28H,1-2H3,(H,20,29)(H,23,24,25)/t13-,14+,15-,19+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	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				J Med Chem 50: 1222-30 (2007) Article DOI: 10.1021/jm060963u BindingDB Entry DOI: 10.7270/Q2JS9R75
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205729 ((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(methoxyamino)-2-...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccn1 Show InChI InChI=1S/C19H19N7O5/c1-20-18(29)15-13(27)14(28)19(31-15)26-9-22-12-16(25-30-2)23-11(24-17(12)26)7-6-10-5-3-4-8-21-10/h3-5,8-9,13-15,19,27-28H,1-2H3,(H,20,29)(H,23,24,25)/t13-,14+,15-,19+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 7897-900 (2009) Article DOI: 10.1021/jm900754g BindingDB Entry DOI: 10.7270/Q2R211G6
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50205729 ((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(methoxyamino)-2-...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccn1 Show InChI InChI=1S/C19H19N7O5/c1-20-18(29)15-13(27)14(28)19(31-15)26-9-22-12-16(25-30-2)23-11(24-17(12)26)7-6-10-5-3-4-8-21-10/h3-5,8-9,13-15,19,27-28H,1-2H3,(H,20,29)(H,23,24,25)/t13-,14+,15-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.99E+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]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells				J Med Chem 50: 1222-30 (2007) Article DOI: 10.1021/jm060963u BindingDB Entry DOI: 10.7270/Q2JS9R75
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50205729 ((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(methoxyamino)-2-...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccn1 Show InChI InChI=1S/C19H19N7O5/c1-20-18(29)15-13(27)14(28)19(31-15)26-9-22-12-16(25-30-2)23-11(24-17(12)26)7-6-10-5-3-4-8-21-10/h3-5,8-9,13-15,19,27-28H,1-2H3,(H,20,29)(H,23,24,25)/t13-,14+,15-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.99E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells				J Med Chem 52: 7897-900 (2009) Article DOI: 10.1021/jm900754g BindingDB Entry DOI: 10.7270/Q2R211G6
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50205729 ((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(methoxyamino)-2-...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccn1 Show InChI InChI=1S/C19H19N7O5/c1-20-18(29)15-13(27)14(28)19(31-15)26-9-22-12-16(25-30-2)23-11(24-17(12)26)7-6-10-5-3-4-8-21-10/h3-5,8-9,13-15,19,27-28H,1-2H3,(H,20,29)(H,23,24,25)/t13-,14+,15-,19+/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	1.80E+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 A2A receptor expressed in CHO cells				J Med Chem 50: 1222-30 (2007) Article DOI: 10.1021/jm060963u BindingDB Entry DOI: 10.7270/Q2JS9R75
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50205729 ((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(methoxyamino)-2-...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccn1 Show InChI InChI=1S/C19H19N7O5/c1-20-18(29)15-13(27)14(28)19(31-15)26-9-22-12-16(25-30-2)23-11(24-17(12)26)7-6-10-5-3-4-8-21-10/h3-5,8-9,13-15,19,27-28H,1-2H3,(H,20,29)(H,23,24,25)/t13-,14+,15-,19+/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	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in CHO cells				J Med Chem 52: 7897-900 (2009) Article DOI: 10.1021/jm900754g BindingDB Entry DOI: 10.7270/Q2R211G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205729 ((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(methoxyamino)-2-...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccn1 Show InChI InChI=1S/C19H19N7O5/c1-20-18(29)15-13(27)14(28)19(31-15)26-9-22-12-16(25-30-2)23-11(24-17(12)26)7-6-10-5-3-4-8-21-10/h3-5,8-9,13-15,19,27-28H,1-2H3,(H,20,29)(H,23,24,25)/t13-,14+,15-,19+/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	52	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Agonist activity at human recombinant adenosine A3 receptor expressed in CHO cells assessed as nonradiaoactive DELFIA Eu-GTP binding treated for 15 m...				J Med Chem 52: 7897-900 (2009) Article DOI: 10.1021/jm900754g BindingDB Entry DOI: 10.7270/Q2R211G6
					More data for this Ligand-Target Pair