BDBM493735 US10988455, Example 1(ix)

SMILES: Nc1nnc(-c2cccc(c2)C(F)(F)F)c(n1)-c1ccccc1

InChI Key: InChIKey=IHPQFXCVGTXJSY-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 = 493735   

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 (Homo sapiens (Human))	BDBM493735 (US10988455, Example 1(ix)) Show SMILES Nc1nnc(-c2cccc(c2)C(F)(F)F)c(n1)-c1ccccc1 Show InChI InChI=1S/C16H11F3N4/c17-16(18,19)12-8-4-7-11(9-12)14-13(21-15(20)23-22-14)10-5-2-1-3-6-10/h1-9H,(H2,20,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	15.5	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 A2a (Homo sapiens (Human))	BDBM493735 (US10988455, Example 1(ix)) Show SMILES Nc1nnc(-c2cccc(c2)C(F)(F)F)c(n1)-c1ccccc1 Show InChI InChI=1S/C16H11F3N4/c17-16(18,19)12-8-4-7-11(9-12)14-13(21-15(20)23-22-14)10-5-2-1-3-6-10/h1-9H,(H2,20,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	20	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