BDBM50513528 CHEMBL4440214

SMILES: Nc1nc(N\N=C\C2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key: InChIKey=FGLIMVVQSUMAMZ-AYSLJPDLSA-N

Data: 2 KI  1 EC50

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 = 50513528   

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 A2a (Homo sapiens (Human))	BDBM50513528 (CHEMBL4440214) Show SMILES Nc1nc(N\N=C\C2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H23N7O4/c17-13-10-14(21-16(20-13)22-19-5-8-3-1-2-4-8)23(7-18-10)15-12(26)11(25)9(6-24)27-15/h5,7-9,11-12,15,24-26H,1-4,6H2,(H3,17,20,21,22)/b19-5+/t9-,11-,12-,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Engineering Research Center for the Emergency Drug Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human cloned adenosine receptor A2A expressed in HEK-293 cell membrane incubated for 60 mins by microbeta counting ...				Eur J Med Chem 179: 310-324 (2019) Article DOI: 10.1016/j.ejmech.2019.06.050
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50513528 (CHEMBL4440214) Show SMILES Nc1nc(N\N=C\C2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H23N7O4/c17-13-10-14(21-16(20-13)22-19-5-8-3-1-2-4-8)23(7-18-10)15-12(26)11(25)9(6-24)27-15/h5,7-9,11-12,15,24-26H,1-4,6H2,(H3,17,20,21,22)/b19-5+/t9-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Engineering Research Center for the Emergency Drug Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human cloned adenosine receptor A1 expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta counting meth...				Eur J Med Chem 179: 310-324 (2019) Article DOI: 10.1016/j.ejmech.2019.06.050
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50513528 (CHEMBL4440214) Show SMILES Nc1nc(N\N=C\C2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H23N7O4/c17-13-10-14(21-16(20-13)22-19-5-8-3-1-2-4-8)23(7-18-10)15-12(26)11(25)9(6-24)27-15/h5,7-9,11-12,15,24-26H,1-4,6H2,(H3,17,20,21,22)/b19-5+/t9-,11-,12-,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.30	n/a	n/a	n/a	n/a
National Engineering Research Center for the Emergency Drug Curated by ChEMBL					Assay Description Agonist activity at human adenosine receptor A2A expressed in HEK293 cells assessed as cAMP accumulation incubated for 30 mins by Eu-cAMP tracer-base...				Eur J Med Chem 179: 310-324 (2019) Article DOI: 10.1016/j.ejmech.2019.06.050
					More data for this Ligand-Target Pair