null

SMILES: Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cccc(F)c3F)c(=O)c12

InChI Key: InChIKey=UCDSHIQKQTZWPG-HBYGRHMLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 452778   

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))	BDBM452778 (1-((3-((1R,5S,6r)-3- (2,3-difluorophenyl)- 3-azabi...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cccc(F)c3F)c(=O)c12 |r| Show InChI InChI=1S/C20H17F2N7O2/c1-27-8-23-19-17(27)20(30)29(9-24-19)7-14-25-18(26-31-14)15-10-5-28(6-11(10)15)13-4-2-3-12(21)16(13)22/h2-4,8-11,15H,5-7H2,1H3/t10-,11+,15+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	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 US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452778 (1-((3-((1R,5S,6r)-3- (2,3-difluorophenyl)- 3-azabi...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cccc(F)c3F)c(=O)c12 |r| Show InChI InChI=1S/C20H17F2N7O2/c1-27-8-23-19-17(27)20(30)29(9-24-19)7-14-25-18(26-31-14)15-10-5-28(6-11(10)15)13-4-2-3-12(21)16(13)22/h2-4,8-11,15H,5-7H2,1H3/t10-,11+,15+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.8	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 US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair