BDBM50513543 CHEMBL4449479

SMILES: Nc1nc(N\N=C\c2ccc(Cl)c(c2)C(F)(F)F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key: InChIKey=SGWJWJOGVJLXDP-LHBCFQKASA-N

Data: 2 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 2 hits for monomerid = 50513543   

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))	BDBM50513543 (CHEMBL4449479) Show SMILES Nc1nc(N\N=C\c2ccc(Cl)c(c2)C(F)(F)F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H17ClF3N7O4/c19-9-2-1-7(3-8(9)18(20,21)22)4-25-28-17-26-14(23)11-15(27-17)29(6-24-11)16-13(32)12(31)10(5-30)33-16/h1-4,6,10,12-13,16,30-32H,5H2,(H3,23,26,27,28)/b25-4+/t10-,12-,13-,16-/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	801	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))	BDBM50513543 (CHEMBL4449479) Show SMILES Nc1nc(N\N=C\c2ccc(Cl)c(c2)C(F)(F)F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H17ClF3N7O4/c19-9-2-1-7(3-8(9)18(20,21)22)4-25-28-17-26-14(23)11-15(27-17)29(6-24-11)16-13(32)12(31)10(5-30)33-16/h1-4,6,10,12-13,16,30-32H,5H2,(H3,23,26,27,28)/b25-4+/t10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	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