BDBM50182980 (2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-((R,S)-3-hydroxy-3-(2-methoxyphenyl)prop-1-ynyl)-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carboxamide::CHEMBL205327

SMILES: CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)c1ccccc1OC

InChI Key: InChIKey=QQFDLSRUWARKPH-RZNSVPNRSA-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 = 50182980   

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))	BDBM50182980 ((2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-((R,S)-3...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)c1ccccc1OC Show InChI InChI=1S/C24H28N6O6/c1-4-25-21-17-22(29-16(28-21)11-10-14(31)13-8-6-7-9-15(13)35-3)30(12-27-17)24-19(33)18(32)20(36-24)23(34)26-5-2/h6-9,12,14,18-20,24,31-33H,4-5H2,1-3H3,(H,26,34)(H,25,28,29)/t14?,18-,19+,20-,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.98	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))	BDBM50182980 ((2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-((R,S)-3...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)c1ccccc1OC Show InChI InChI=1S/C24H28N6O6/c1-4-25-21-17-22(29-16(28-21)11-10-14(31)13-8-6-7-9-15(13)35-3)30(12-27-17)24-19(33)18(32)20(36-24)23(34)26-5-2/h6-9,12,14,18-20,24,31-33H,4-5H2,1-3H3,(H,26,34)(H,25,28,29)/t14?,18-,19+,20-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.27	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))	BDBM50182980 ((2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-((R,S)-3...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)c1ccccc1OC Show InChI InChI=1S/C24H28N6O6/c1-4-25-21-17-22(29-16(28-21)11-10-14(31)13-8-6-7-9-15(13)35-3)30(12-27-17)24-19(33)18(32)20(36-24)23(34)26-5-2/h6-9,12,14,18-20,24,31-33H,4-5H2,1-3H3,(H,26,34)(H,25,28,29)/t14?,18-,19+,20-,24+/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	497	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))	BDBM50182980 ((2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-((R,S)-3...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)c1ccccc1OC Show InChI InChI=1S/C24H28N6O6/c1-4-25-21-17-22(29-16(28-21)11-10-14(31)13-8-6-7-9-15(13)35-3)30(12-27-17)24-19(33)18(32)20(36-24)23(34)26-5-2/h6-9,12,14,18-20,24,31-33H,4-5H2,1-3H3,(H,26,34)(H,25,28,29)/t14?,18-,19+,20-,24+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.86E+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]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