null

SMILES: Nc1nc(NCCCCNC(=O)c2ccc(cc2)S(F)(=O)=O)nc2nc(nn12)-c1ccco1

InChI Key: InChIKey=DNPFEVWAQWYCTR-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50368789   

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))	BDBM50368789 (CHEMBL4164058) Show SMILES Nc1nc(NCCCCNC(=O)c2ccc(cc2)S(F)(=O)=O)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H19FN8O4S/c20-33(30,31)13-7-5-12(6-8-13)16(29)22-9-1-2-10-23-18-25-17(21)28-19(26-18)24-15(27-28)14-4-3-11-32-14/h3-8,11H,1-2,9-10H2,(H,22,29)(H3,21,23,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.891	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 human A2AR (1 to 316 residues) expressed in Pichia pastoris SMD1168 cell membranes incubated for 3 hrs				J Med Chem 61: 7892-7901 (2018) Article DOI: 10.1021/acs.jmedchem.8b00860 BindingDB Entry DOI: 10.7270/Q2RF5XJ5
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50368789 (CHEMBL4164058) Show SMILES Nc1nc(NCCCCNC(=O)c2ccc(cc2)S(F)(=O)=O)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H19FN8O4S/c20-33(30,31)13-7-5-12(6-8-13)16(29)22-9-1-2-10-23-18-25-17(21)28-19(26-18)24-15(27-28)14-4-3-11-32-14/h3-8,11H,1-2,9-10H2,(H,22,29)(H3,21,23,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 human A2AR (1 to 316 residues) expressed in Pichia pastoris SMD1168 cell membranes incubated for 0.5 hrs				J Med Chem 61: 7892-7901 (2018) Article DOI: 10.1021/acs.jmedchem.8b00860 BindingDB Entry DOI: 10.7270/Q2RF5XJ5
					More data for this Ligand-Target Pair