null

SMILES: Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3c(F)ccc(Cl)c3F)c(=O)c12

InChI Key: InChIKey=NQPPCJDUDWGYDN-MSRIBSCDSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 452900   

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))	BDBM452900 (1-((3-((1R,5S,6r)-3- (3-chloro-2,6-difluoro- pheny...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3c(F)ccc(Cl)c3F)c(=O)c12 |r| Show InChI InChI=1S/C20H16ClF2N7O2/c1-28-7-24-19-17(28)20(31)30(8-25-19)6-13-26-18(27-32-13)14-9-4-29(5-10(9)14)16-12(22)3-2-11(21)15(16)23/h2-3,7-10,14H,4-6H2,1H3/t9-,10+,14+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.70	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))	BDBM452900 (1-((3-((1R,5S,6r)-3- (3-chloro-2,6-difluoro- pheny...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3c(F)ccc(Cl)c3F)c(=O)c12 |r| Show InChI InChI=1S/C20H16ClF2N7O2/c1-28-7-24-19-17(28)20(31)30(8-25-19)6-13-26-18(27-32-13)14-9-4-29(5-10(9)14)16-12(22)3-2-11(21)15(16)23/h2-3,7-10,14H,4-6H2,1H3/t9-,10+,14+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29.7	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