BDBM50182982 (2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-(2-(1-hydroxycyclopentyl)ethynyl)-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carboxamide::CHEMBL205768

SMILES: CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC1(O)CCCC1

InChI Key: InChIKey=HPUBEZVMGBMZPM-KSVNGYGVSA-N

Data: 4 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 4 hits for monomerid = 50182982   

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))	BDBM50182982 ((2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-(2-(1-hy...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC1(O)CCCC1 Show InChI InChI=1S/C21H28N6O5/c1-3-22-17-13-18(26-12(25-17)7-10-21(31)8-5-6-9-21)27(11-24-13)20-15(29)14(28)16(32-20)19(30)23-4-2/h11,14-16,20,28-29,31H,3-6,8-9H2,1-2H3,(H,23,30)(H,22,25,26)/t14-,15+,16-,20+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.03	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))	BDBM50182982 ((2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-(2-(1-hy...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC1(O)CCCC1 Show InChI InChI=1S/C21H28N6O5/c1-3-22-17-13-18(26-12(25-17)7-10-21(31)8-5-6-9-21)27(11-24-13)20-15(29)14(28)16(32-20)19(30)23-4-2/h11,14-16,20,28-29,31H,3-6,8-9H2,1-2H3,(H,23,30)(H,22,25,26)/t14-,15+,16-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34.4	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))	BDBM50182982 ((2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-(2-(1-hy...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC1(O)CCCC1 Show InChI InChI=1S/C21H28N6O5/c1-3-22-17-13-18(26-12(25-17)7-10-21(31)8-5-6-9-21)27(11-24-13)20-15(29)14(28)16(32-20)19(30)23-4-2/h11,14-16,20,28-29,31H,3-6,8-9H2,1-2H3,(H,23,30)(H,22,25,26)/t14-,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	935	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
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50182982 ((2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-(2-(1-hy...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC1(O)CCCC1 Show InChI InChI=1S/C21H28N6O5/c1-3-22-17-13-18(26-12(25-17)7-10-21(31)8-5-6-9-21)27(11-24-13)20-15(29)14(28)16(32-20)19(30)23-4-2/h11,14-16,20,28-29,31H,3-6,8-9H2,1-2H3,(H,23,30)(H,22,25,26)/t14-,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	2.65E+4	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]ABOPX from human adenosine A2B 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