BDBM493793 US10988455, Example 4(ii)

SMILES: Nc1nnc(-c2cc(Cl)cc(OS(=O)(=O)C(F)(F)F)c2)c(n1)-c1ccccc1

InChI Key: InChIKey=GLMVCTJDLKLOFG-UHFFFAOYSA-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 = 493793   

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))	BDBM493793 (US10988455, Example 4(ii)) Show SMILES Nc1nnc(-c2cc(Cl)cc(OS(=O)(=O)C(F)(F)F)c2)c(n1)-c1ccccc1 Show InChI InChI=1S/C16H10ClF3N4O3S/c17-11-6-10(7-12(8-11)27-28(25,26)16(18,19)20)14-13(22-15(21)24-23-14)9-4-2-1-3-5-9/h1-8H,(H2,21,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heptares Therapeutics Limited US Patent					Assay Description All test compounds were prepared as a stock solution of 10 mM in 100% DMSO.Inhibition binding assays were performed using 2.5 μg of membranes pr...				US Patent US10988455 (2021)
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM493793 (US10988455, Example 4(ii)) Show SMILES Nc1nnc(-c2cc(Cl)cc(OS(=O)(=O)C(F)(F)F)c2)c(n1)-c1ccccc1 Show InChI InChI=1S/C16H10ClF3N4O3S/c17-11-6-10(7-12(8-11)27-28(25,26)16(18,19)20)14-13(22-15(21)24-23-14)9-4-2-1-3-5-9/h1-8H,(H2,21,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	37.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heptares Therapeutics Limited US Patent					Assay Description All test compounds were prepared as a stock solution of 10 mM in 100% DMSO.Inhibition binding assays were performed using 2.5 μg of membranes pr...				US Patent US10988455 (2021)
					More data for this Ligand-Target Pair