null

SMILES: Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccc(F)c(F)c3F)c(=O)c12

InChI Key: InChIKey=LDLLVRCAPFWYTL-YWPYICTPSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 452920   

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))	BDBM452920 (7-methyl-1-[[3- [(1R,5R,6S)-3-(2,3,4- trifluorophe...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccc(F)c(F)c3F)c(=O)c12 |r,c:18| Show InChI InChI=1S/C21H15F3N6O2/c1-29-7-25-20-18(29)21(31)30(8-26-20)6-14-27-19(28-32-14)15-11-4-9(5-12(11)15)10-2-3-13(22)17(24)16(10)23/h2-4,7-8,11-12,15H,5-6H2,1H3/t11-,12+,15+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.1	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))	BDBM452920 (7-methyl-1-[[3- [(1R,5R,6S)-3-(2,3,4- trifluorophe...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccc(F)c(F)c3F)c(=O)c12 |r,c:18| Show InChI InChI=1S/C21H15F3N6O2/c1-29-7-25-20-18(29)21(31)30(8-26-20)6-14-27-19(28-32-14)15-11-4-9(5-12(11)15)10-2-3-13(22)17(24)16(10)23/h2-4,7-8,11-12,15H,5-6H2,1H3/t11-,12+,15+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.30	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))	BDBM452920 (7-methyl-1-[[3- [(1R,5R,6S)-3-(2,3,4- trifluorophe...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccc(F)c(F)c3F)c(=O)c12 |r,c:18| Show InChI InChI=1S/C21H15F3N6O2/c1-29-7-25-20-18(29)21(31)30(8-26-20)6-14-27-19(28-32-14)15-11-4-9(5-12(11)15)10-2-3-13(22)17(24)16(10)23/h2-4,7-8,11-12,15H,5-6H2,1H3/t11-,12+,15+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.1	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))	BDBM452920 (7-methyl-1-[[3- [(1R,5R,6S)-3-(2,3,4- trifluorophe...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccc(F)c(F)c3F)c(=O)c12 |r,c:18| Show InChI InChI=1S/C21H15F3N6O2/c1-29-7-25-20-18(29)21(31)30(8-26-20)6-14-27-19(28-32-14)15-11-4-9(5-12(11)15)10-2-3-13(22)17(24)16(10)23/h2-4,7-8,11-12,15H,5-6H2,1H3/t11-,12+,15+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.30	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