BDBM452534 6-((3-((3R,5R)-5-(4- fluorophenyl)tetra- hydrofuran-3-yl)-1,2,4- oxadiazol-5-yl)methyl)- 1-methyl-1,6-dihydro- 7H-[1,2,3]triazolo[4,5- d]pyrimidin-7-one::US10710994, Example 12

SMILES: Cn1nnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(F)cc3)c(=O)c12

InChI Key: InChIKey=AMABIFVVCZYKIM-WCQYABFASA-N

Data: 2 IC50

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 = 452534   

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
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452534 (6-((3-((3R,5R)-5-(4- fluorophenyl)tetra- hydrofura...) Show SMILES Cn1nnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(F)cc3)c(=O)c12 |r| Show InChI InChI=1S/C18H16FN7O3/c1-25-15-17(22-24-25)20-9-26(18(15)27)7-14-21-16(23-29-14)11-6-13(28-8-11)10-2-4-12(19)5-3-10/h2-5,9,11,13H,6-8H2,1H3/t11-,13+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10710994 (2020)
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452534 (6-((3-((3R,5R)-5-(4- fluorophenyl)tetra- hydrofura...) Show SMILES Cn1nnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(F)cc3)c(=O)c12 |r| Show InChI InChI=1S/C18H16FN7O3/c1-25-15-17(22-24-25)20-9-26(18(15)27)7-14-21-16(23-29-14)11-6-13(28-8-11)10-2-4-12(19)5-3-10/h2-5,9,11,13H,6-8H2,1H3/t11-,13+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.55	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10710994 (2020)
					More data for this Ligand-Target Pair