BindingDB logo
myBDB logout

BDBM50241426 3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-3,4-dihydropyrimidin-2(1H)-one::CHEMBL258405::Icilin::Icillin

SMILES: Oc1ccccc1N1CC=C(NC1=O)c1cccc(c1)[N+]([O-])=O

InChI Key: InChIKey=RCEFMOGVOYEGJN-UHFFFAOYSA-N

Data: 1 IC50  5 EC50

PDB links: 1 PDB ID matches this monomer.

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 6 hits for monomerid = 50241426   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Transient receptor potential M8 protein (TRPM8)


(Rattus norvegicus (Rat))
BDBM50241426
PNG
(3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-3,4-dihydrop...)
Show SMILES Oc1ccccc1N1CC=C(NC1=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H13N3O4/c20-15-7-2-1-6-14(15)18-9-8-13(17-16(18)21)11-4-3-5-12(10-11)19(22)23/h1-8,10,20H,9H2,(H,17,21)
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 58n/an/an/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Antagonist activity against rat TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced intracellular Ca2+ level pre-treated 5 mins ...


Bioorg Med Chem Lett 25: 2285-90 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.032
BindingDB Entry DOI: 10.7270/Q2QZ2CP2
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein (TRPM8)


(Rattus norvegicus (Rat))
BDBM50241426
PNG
(3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-3,4-dihydrop...)
Show SMILES Oc1ccccc1N1CC=C(NC1=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H13N3O4/c20-15-7-2-1-6-14(15)18-9-8-13(17-16(18)21)11-4-3-5-12(10-11)19(22)23/h1-8,10,20H,9H2,(H,17,21)
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 110n/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPM8 expressed in HEK293 cells assessed as induction of intracellular Ca2+ level by Fluo-4-AM dye based spectrofluorimetry


Bioorg Med Chem Lett 25: 2285-90 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.032
BindingDB Entry DOI: 10.7270/Q2QZ2CP2
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50241426
PNG
(3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-3,4-dihydrop...)
Show SMILES Oc1ccccc1N1CC=C(NC1=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H13N3O4/c20-15-7-2-1-6-14(15)18-9-8-13(17-16(18)21)11-4-3-5-12(10-11)19(22)23/h1-8,10,20H,9H2,(H,17,21)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 60n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Activation of TRPM8 channel


J Med Chem 53: 5085-107 (2010)


Article DOI: 10.1021/jm100062h
BindingDB Entry DOI: 10.7270/Q2416Z02
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50241426
PNG
(3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-3,4-dihydrop...)
Show SMILES Oc1ccccc1N1CC=C(NC1=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H13N3O4/c20-15-7-2-1-6-14(15)18-9-8-13(17-16(18)21)11-4-3-5-12(10-11)19(22)23/h1-8,10,20H,9H2,(H,17,21)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 300n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human TRPM8 (unknown origin) expressed in HEK293 cells assessed as inhibition of WS12-induced Ca2+ elevation by FLIPR assay


Bioorg Med Chem Lett 23: 6118-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.016
BindingDB Entry DOI: 10.7270/Q2125V4N
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50241426
PNG
(3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-3,4-dihydrop...)
Show SMILES Oc1ccccc1N1CC=C(NC1=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H13N3O4/c20-15-7-2-1-6-14(15)18-9-8-13(17-16(18)21)11-4-3-5-12(10-11)19(22)23/h1-8,10,20H,9H2,(H,17,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.00E+5n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 channel expressed in HEK293 cells assessed as increase in intracellular calcium influx


J Med Chem 53: 5085-107 (2010)


Article DOI: 10.1021/jm100062h
BindingDB Entry DOI: 10.7270/Q2416Z02
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein (TRPM8)


(Rattus norvegicus (Rat))
BDBM50241426
PNG
(3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-3,4-dihydrop...)
Show SMILES Oc1ccccc1N1CC=C(NC1=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H13N3O4/c20-15-7-2-1-6-14(15)18-9-8-13(17-16(18)21)11-4-3-5-12(10-11)19(22)23/h1-8,10,20H,9H2,(H,17,21)
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 190n/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant TRPM8 receptor expressed in HEK293 cells assessed as increase in intracellular calcium concentration by fluorimet...


Bioorg Med Chem 17: 1636-9 (2009)


Article DOI: 10.1016/j.bmc.2008.12.057
BindingDB Entry DOI: 10.7270/Q28915RH
More data for this
Ligand-Target Pair