BDBM50182978 (2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-((R)-3-hydroxybut-1-ynyl)-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carboxamide::CHEMBL205226

SMILES: CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#C[C@@H](C)O

InChI Key: InChIKey=CFAZRMAXEYJQGT-MWEFJKQRSA-N

Data: 3 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 3 hits for monomerid = 50182978   

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))	BDBM50182978 ((2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-((R)-3-h...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#C[C@@H](C)O Show InChI InChI=1S/C18H24N6O5/c1-4-19-15-11-16(23-10(22-15)7-6-9(3)25)24(8-21-11)18-13(27)12(26)14(29-18)17(28)20-5-2/h8-9,12-14,18,25-27H,4-5H2,1-3H3,(H,20,28)(H,19,22,23)/t9-,12+,13-,14+,18-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Displacement of [125I]ABA from human adenosine A3 receptor expressed in HEK cells				Bioorg Med Chem Lett 16: 2416-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.110 BindingDB Entry DOI: 10.7270/Q2833STJ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50182978 ((2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-((R)-3-h...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#C[C@@H](C)O Show InChI InChI=1S/C18H24N6O5/c1-4-19-15-11-16(23-10(22-15)7-6-9(3)25)24(8-21-11)18-13(27)12(26)14(29-18)17(28)20-5-2/h8-9,12-14,18,25-27H,4-5H2,1-3H3,(H,20,28)(H,19,22,23)/t9-,12+,13-,14+,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Displacement of [125I]ABA from human adenosine A1 receptor expressed in HEK cells				Bioorg Med Chem Lett 16: 2416-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.110 BindingDB Entry DOI: 10.7270/Q2833STJ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50182978 ((2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-((R)-3-h...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#C[C@@H](C)O Show InChI InChI=1S/C18H24N6O5/c1-4-19-15-11-16(23-10(22-15)7-6-9(3)25)24(8-21-11)18-13(27)12(26)14(29-18)17(28)20-5-2/h8-9,12-14,18,25-27H,4-5H2,1-3H3,(H,20,28)(H,19,22,23)/t9-,12+,13-,14+,18-/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	2.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Displacement of [125I]ZM241385 from human adenosine A2A receptor in HEK cells				Bioorg Med Chem Lett 16: 2416-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.110 BindingDB Entry DOI: 10.7270/Q2833STJ
					More data for this Ligand-Target Pair