BDBM50426727 CHEMBL2326829

SMILES: COc1ccc(CN=Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1Cl

InChI Key: InChIKey=ULLSWBTVOUUPNM-LSCFUAHRSA-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 = 50426727   

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 A1 (Rattus norvegicus (rat))	BDBM50426727 (CHEMBL2326829) Show SMILES COc1ccc(CN=Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1Cl |r,w:8.8| Show InChI InChI=1S/C18H20ClN7O5/c1-30-10-3-2-8(4-9(10)19)5-22-25-18-23-15(20)12-16(24-18)26(7-21-12)17-14(29)13(28)11(6-27)31-17/h2-4,7,11,13-14,17,27-29H,5-6H2,1H3,(H2,20,23,24)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	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 receptor A3 (Homo sapiens (Human))	BDBM50426727 (CHEMBL2326829) Show SMILES COc1ccc(CN=Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1Cl |r,w:8.8| Show InChI InChI=1S/C18H20ClN7O5/c1-30-10-3-2-8(4-9(10)19)5-22-25-18-23-15(20)12-16(24-18)26(7-21-12)17-14(29)13(28)11(6-27)31-17/h2-4,7,11,13-14,17,27-29H,5-6H2,1H3,(H2,20,23,24)/t11-,13-,14-,17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51	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 Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50426727 (CHEMBL2326829) Show SMILES COc1ccc(CN=Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1Cl |r,w:8.8| Show InChI InChI=1S/C18H20ClN7O5/c1-30-10-3-2-8(4-9(10)19)5-22-25-18-23-15(20)12-16(24-18)26(7-21-12)17-14(29)13(28)11(6-27)31-17/h2-4,7,11,13-14,17,27-29H,5-6H2,1H3,(H2,20,23,24)/t11-,13-,14-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	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