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BDBM50331290 CHEMBL1289953::N-(3-aminopropyl)-2-(3-methylbenzyloxy)-N-(thiophen-2-ylmethyl)benzamide

SMILES: Cc1cccc(COc2ccccc2C(=O)N(CCCN)Cc2cccs2)c1

InChI Key: InChIKey=LCQJRANJHOEQFG-UHFFFAOYSA-N

Data: 9 IC50

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 9 hits for monomerid = 50331290   
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 cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50331290
PNG
(CHEMBL1289953 | N-(3-aminopropyl)-2-(3-methylbenzy...)
Show SMILES Cc1cccc(COc2ccccc2C(=O)N(CCCN)Cc2cccs2)c1
Show InChI InChI=1S/C23H26N2O2S/c1-18-7-4-8-19(15-18)17-27-22-11-3-2-10-21(22)23(26)25(13-6-12-24)16-20-9-5-14-28-20/h2-5,7-11,14-15H,6,12-13,16-17,24H2,1H3
KEGG

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PubMed
n/an/a 160n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 receptor expressed in human T-REx-293 cells assessed as inhibition of menthol-induced 45calcium influx treated 5 m...


Bioorg Med Chem Lett 20: 7076-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.099
BindingDB Entry DOI: 10.7270/Q2DN459H
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50331290
PNG
(CHEMBL1289953 | N-(3-aminopropyl)-2-(3-methylbenzy...)
Show SMILES Cc1cccc(COc2ccccc2C(=O)N(CCCN)Cc2cccs2)c1
Show InChI InChI=1S/C23H26N2O2S/c1-18-7-4-8-19(15-18)17-27-22-11-3-2-10-21(22)23(26)25(13-6-12-24)16-20-9-5-14-28-20/h2-5,7-11,14-15H,6,12-13,16-17,24H2,1H3
KEGG

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n/an/a 190n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 receptor expressed in human T-REx-293 cells assessed as inhibition of icilin-induced 45calcium influx treated 5 mi...


Bioorg Med Chem Lett 20: 7076-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.099
BindingDB Entry DOI: 10.7270/Q2DN459H
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50331290
PNG
(CHEMBL1289953 | N-(3-aminopropyl)-2-(3-methylbenzy...)
Show SMILES Cc1cccc(COc2ccccc2C(=O)N(CCCN)Cc2cccs2)c1
Show InChI InChI=1S/C23H26N2O2S/c1-18-7-4-8-19(15-18)17-27-22-11-3-2-10-21(22)23(26)25(13-6-12-24)16-20-9-5-14-28-20/h2-5,7-11,14-15H,6,12-13,16-17,24H2,1H3
KEGG

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n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TRPM8 (unknown origin)


J Med Chem 56: 593-624 (2013)


Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50331290
PNG
(CHEMBL1289953 | N-(3-aminopropyl)-2-(3-methylbenzy...)
Show SMILES Cc1cccc(COc2ccccc2C(=O)N(CCCN)Cc2cccs2)c1
Show InChI InChI=1S/C23H26N2O2S/c1-18-7-4-8-19(15-18)17-27-22-11-3-2-10-21(22)23(26)25(13-6-12-24)16-20-9-5-14-28-20/h2-5,7-11,14-15H,6,12-13,16-17,24H2,1H3
KEGG

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n/an/a 414n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPM8 expressed in HEK293 cells assessed as inhibition of menthol-induced calcium increase by Fluo-4 AM base...


Bioorg Med Chem 25: 727-742 (2017)


Article DOI: 10.1016/j.bmc.2016.11.049
BindingDB Entry DOI: 10.7270/Q2445PF7
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein (TRPM8)


(Rattus norvegicus (Rat))
BDBM50331290
PNG
(CHEMBL1289953 | N-(3-aminopropyl)-2-(3-methylbenzy...)
Show SMILES Cc1cccc(COc2ccccc2C(=O)N(CCCN)Cc2cccs2)c1
Show InChI InChI=1S/C23H26N2O2S/c1-18-7-4-8-19(15-18)17-27-22-11-3-2-10-21(22)23(26)25(13-6-12-24)16-20-9-5-14-28-20/h2-5,7-11,14-15H,6,12-13,16-17,24H2,1H3
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n/an/a 7.30E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of menthol-induced calcium flux preincubated for 60 mins followed b...


J Med Chem 63: 9672-9694 (2020)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50331290
PNG
(CHEMBL1289953 | N-(3-aminopropyl)-2-(3-methylbenzy...)
Show SMILES Cc1cccc(COc2ccccc2C(=O)N(CCCN)Cc2cccs2)c1
Show InChI InChI=1S/C23H26N2O2S/c1-18-7-4-8-19(15-18)17-27-22-11-3-2-10-21(22)23(26)25(13-6-12-24)16-20-9-5-14-28-20/h2-5,7-11,14-15H,6,12-13,16-17,24H2,1H3
KEGG

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n/an/a 589n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant full length TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced calcium increase preinc...


Bioorg Med Chem 25: 727-742 (2017)


Article DOI: 10.1016/j.bmc.2016.11.049
BindingDB Entry DOI: 10.7270/Q2445PF7
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50331290
PNG
(CHEMBL1289953 | N-(3-aminopropyl)-2-(3-methylbenzy...)
Show SMILES Cc1cccc(COc2ccccc2C(=O)N(CCCN)Cc2cccs2)c1
Show InChI InChI=1S/C23H26N2O2S/c1-18-7-4-8-19(15-18)17-27-22-11-3-2-10-21(22)23(26)25(13-6-12-24)16-20-9-5-14-28-20/h2-5,7-11,14-15H,6,12-13,16-17,24H2,1H3
KEGG

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n/an/a 447n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced calcium increase by Fluo-4 AM based...


Bioorg Med Chem 25: 727-742 (2017)


Article DOI: 10.1016/j.bmc.2016.11.049
BindingDB Entry DOI: 10.7270/Q2445PF7
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein (TRPM8)


(Rattus norvegicus (Rat))
BDBM50331290
PNG
(CHEMBL1289953 | N-(3-aminopropyl)-2-(3-methylbenzy...)
Show SMILES Cc1cccc(COc2ccccc2C(=O)N(CCCN)Cc2cccs2)c1
Show InChI InChI=1S/C23H26N2O2S/c1-18-7-4-8-19(15-18)17-27-22-11-3-2-10-21(22)23(26)25(13-6-12-24)16-20-9-5-14-28-20/h2-5,7-11,14-15H,6,12-13,16-17,24H2,1H3
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n/an/a 6.50E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as reduction in menthol-induced calcium flux incubated for 60 mins by Fluo-4 NW-d...


J Med Chem 61: 6140-6152 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00545
BindingDB Entry DOI: 10.7270/Q2FN18V3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50331290
PNG
(CHEMBL1289953 | N-(3-aminopropyl)-2-(3-methylbenzy...)
Show SMILES Cc1cccc(COc2ccccc2C(=O)N(CCCN)Cc2cccs2)c1
Show InChI InChI=1S/C23H26N2O2S/c1-18-7-4-8-19(15-18)17-27-22-11-3-2-10-21(22)23(26)25(13-6-12-24)16-20-9-5-14-28-20/h2-5,7-11,14-15H,6,12-13,16-17,24H2,1H3
KEGG

UniProtKB/SwissProt
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PubMed
n/an/a 448n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced calcium increase by Fluo-4 AM based...


Bioorg Med Chem 25: 727-742 (2017)


Article DOI: 10.1016/j.bmc.2016.11.049
BindingDB Entry DOI: 10.7270/Q2445PF7
More data for this
Ligand-Target Pair