null

SMILES: Nc1nc2ncccc2c(=O)n1Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(F)cc1

InChI Key: InChIKey=VSNLJSZHSKJANJ-SWLSCSKDSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 452611   

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))	BDBM452611 (2-amino-3-((3-((3R,5R)- 5-(4-fluorophenyl) tetrahy...) Show SMILES Nc1nc2ncccc2c(=O)n1Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H17FN6O3/c21-13-5-3-11(4-6-13)15-8-12(10-29-15)17-24-16(30-26-17)9-27-19(28)14-2-1-7-23-18(14)25-20(27)22/h1-7,12,15H,8-10H2,(H2,22,23,25)/t12-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	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) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452611 (2-amino-3-((3-((3R,5R)- 5-(4-fluorophenyl) tetrahy...) Show SMILES Nc1nc2ncccc2c(=O)n1Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H17FN6O3/c21-13-5-3-11(4-6-13)15-8-12(10-29-15)17-24-16(30-26-17)9-27-19(28)14-2-1-7-23-18(14)25-20(27)22/h1-7,12,15H,8-10H2,(H2,22,23,25)/t12-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18.7	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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair