BDBM452561 5-((3-((3R,5R)-5-(4- chlorophenyl)tetrahydro- furan-3-yl)-1,2,4- oxadiazol-5-yl)methyl)- 3-methyl-3,5-dihydro- 4H-imidazo[4,5- c]pyridin-4-one::US10710994, Example 39

SMILES: Cn1cnc2ccn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12

InChI Key: InChIKey=COWJGGFKTKTZOT-XJKSGUPXSA-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 = 452561   

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))	BDBM452561 (5-((3-((3R,5R)-5-(4- chlorophenyl)tetrahydro- fura...) Show SMILES Cn1cnc2ccn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r| Show InChI InChI=1S/C20H18ClN5O3/c1-25-11-22-15-6-7-26(20(27)18(15)25)9-17-23-19(24-29-17)13-8-16(28-10-13)12-2-4-14(21)5-3-12/h2-7,11,13,16H,8-10H2,1H3/t13-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.420	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))	BDBM452561 (5-((3-((3R,5R)-5-(4- chlorophenyl)tetrahydro- fura...) Show SMILES Cn1cnc2ccn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r| Show InChI InChI=1S/C20H18ClN5O3/c1-25-11-22-15-6-7-26(20(27)18(15)25)9-17-23-19(24-29-17)13-8-16(28-10-13)12-2-4-14(21)5-3-12/h2-7,11,13,16H,8-10H2,1H3/t13-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.06	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