BDBM50426721 CHEMBL2326836

SMILES: CN(NCC(=O)[C@@H](O)[C@@H](O)[C@H](O)CO)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

InChI Key: InChIKey=WLQCIEQCAWTYFD-PRJAULMWSA-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 = 50426721   

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))	BDBM50426721 (CHEMBL2326836) Show SMILES CN(NCC(=O)[C@@H](O)[C@@H](O)[C@H](O)CO)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C17H27N7O9/c1-23(20-2-6(27)10(29)11(30)7(28)3-25)17-21-14(18)9-15(22-17)24(5-19-9)16-13(32)12(31)8(4-26)33-16/h5,7-8,10-13,16,20,25-26,28-32H,2-4H2,1H3,(H2,18,21,22)/t7-,8-,10-,11+,12-,13-,16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 180 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50426721 (CHEMBL2326836) Show SMILES CN(NCC(=O)[C@@H](O)[C@@H](O)[C@H](O)CO)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C17H27N7O9/c1-23(20-2-6(27)10(29)11(30)7(28)3-25)17-21-14(18)9-15(22-17)24(5-19-9)16-13(32)12(31)8(4-26)33-16/h5,7-8,10-13,16,20,25-26,28-32H,2-4H2,1H3,(H2,18,21,22)/t7-,8-,10-,11+,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 90 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50426721 (CHEMBL2326836) Show SMILES CN(NCC(=O)[C@@H](O)[C@@H](O)[C@H](O)CO)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C17H27N7O9/c1-23(20-2-6(27)10(29)11(30)7(28)3-25)17-21-14(18)9-15(22-17)24(5-19-9)16-13(32)12(31)8(4-26)33-16/h5,7-8,10-13,16,20,25-26,28-32H,2-4H2,1H3,(H2,18,21,22)/t7-,8-,10-,11+,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane after 60 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50426721 (CHEMBL2326836) Show SMILES CN(NCC(=O)[C@@H](O)[C@@H](O)[C@H](O)CO)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C17H27N7O9/c1-23(20-2-6(27)10(29)11(30)7(28)3-25)17-21-14(18)9-15(22-17)24(5-19-9)16-13(32)12(31)8(4-26)33-16/h5,7-8,10-13,16,20,25-26,28-32H,2-4H2,1H3,(H2,18,21,22)/t7-,8-,10-,11+,12-,13-,16-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells after 75 mins by liquid scintillation counting analy...				Bioorg Med Chem 21: 436-47 (2012) Article DOI: 10.1016/j.bmc.2012.11.021 BindingDB Entry DOI: 10.7270/Q2ST7R51
					More data for this Ligand-Target Pair