BDBM452576 3-((3-((3R,5R)-5-(4- chlorophenyl)tetrahydro- furan-3-yl)-1,2,4- oxadiazol-5-yl)methyl)- 5-methylpyrido[2,3-d] pyrimidin-4(3H)-one::US10710994, Example 54::US10710994, Example 58

SMILES: Cc1ccnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12

InChI Key: InChIKey=GGKRJWBWIAZWQO-GOEBONIOSA-N

Data: 4 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 4 hits for monomerid = 452576   

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))	BDBM452576 (3-((3-((3R,5R)-5-(4- chlorophenyl)tetrahydro- fura...) Show SMILES Cc1ccnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r| Show InChI InChI=1S/C21H18ClN5O3/c1-12-6-7-23-20-18(12)21(28)27(11-24-20)9-17-25-19(26-30-17)14-8-16(29-10-14)13-2-4-15(22)5-3-13/h2-7,11,14,16H,8-10H2,1H3/t14-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.14	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))	BDBM452576 (3-((3-((3R,5R)-5-(4- chlorophenyl)tetrahydro- fura...) Show SMILES Cc1ccnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r| Show InChI InChI=1S/C21H18ClN5O3/c1-12-6-7-23-20-18(12)21(28)27(11-24-20)9-17-25-19(26-30-17)14-8-16(29-10-14)13-2-4-15(22)5-3-13/h2-7,11,14,16H,8-10H2,1H3/t14-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	52	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))	BDBM452576 (3-((3-((3R,5R)-5-(4- chlorophenyl)tetrahydro- fura...) Show SMILES Cc1ccnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r| Show InChI InChI=1S/C21H18ClN5O3/c1-12-6-7-23-20-18(12)21(28)27(11-24-20)9-17-25-19(26-30-17)14-8-16(29-10-14)13-2-4-15(22)5-3-13/h2-7,11,14,16H,8-10H2,1H3/t14-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	69	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))	BDBM452576 (3-((3-((3R,5R)-5-(4- chlorophenyl)tetrahydro- fura...) Show SMILES Cc1ccnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r| Show InChI InChI=1S/C21H18ClN5O3/c1-12-6-7-23-20-18(12)21(28)27(11-24-20)9-17-25-19(26-30-17)14-8-16(29-10-14)13-2-4-15(22)5-3-13/h2-7,11,14,16H,8-10H2,1H3/t14-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.730	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