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BDBM50463472 CHEMBL4242293

SMILES: CC1CCN(CC1)c1nc(ccc1CNC(=O)Cc1cc(Cl)c(N)c(Cl)c1)C(F)(F)F

InChI Key: InChIKey=SQAKVUWSGHLBGX-UHFFFAOYSA-N

Data: 2 KI  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 4 hits for monomerid = 50463472   
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 V member 1


(Homo sapiens (Human))
BDBM50463472
PNG
(CHEMBL4242293)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Cc1cc(Cl)c(N)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C21H23Cl2F3N4O/c1-12-4-6-30(7-5-12)20-14(2-3-17(29-20)21(24,25)26)11-28-18(31)10-13-8-15(22)19(27)16(23)9-13/h2-3,8-9,12H,4-7,10-11,27H2,1H3,(H,28,31)
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PC sid
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0.100n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as reduction in NADA-induced intracellular calcium level preincubated with cells...


Bioorg Med Chem 26: 4509-4517 (2018)


Article DOI: 10.1016/j.bmc.2018.07.040
BindingDB Entry DOI: 10.7270/Q2348P1P
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50463472
PNG
(CHEMBL4242293)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Cc1cc(Cl)c(N)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C21H23Cl2F3N4O/c1-12-4-6-30(7-5-12)20-14(2-3-17(29-20)21(24,25)26)11-28-18(31)10-13-8-15(22)19(27)16(23)9-13/h2-3,8-9,12H,4-7,10-11,27H2,1H3,(H,28,31)
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0.300n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as reduction in capsaicin-induced intracellular calcium level preincubated for 6...


Bioorg Med Chem 26: 4509-4517 (2018)


Article DOI: 10.1016/j.bmc.2018.07.040
BindingDB Entry DOI: 10.7270/Q2348P1P
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50463472
PNG
(CHEMBL4242293)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Cc1cc(Cl)c(N)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C21H23Cl2F3N4O/c1-12-4-6-30(7-5-12)20-14(2-3-17(29-20)21(24,25)26)11-28-18(31)10-13-8-15(22)19(27)16(23)9-13/h2-3,8-9,12H,4-7,10-11,27H2,1H3,(H,28,31)
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n/an/a 13n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as reduction in heat-induced intracellular calcium level preincubated with cells...


Bioorg Med Chem 26: 4509-4517 (2018)


Article DOI: 10.1016/j.bmc.2018.07.040
BindingDB Entry DOI: 10.7270/Q2348P1P
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50463472
PNG
(CHEMBL4242293)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Cc1cc(Cl)c(N)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C21H23Cl2F3N4O/c1-12-4-6-30(7-5-12)20-14(2-3-17(29-20)21(24,25)26)11-28-18(31)10-13-8-15(22)19(27)16(23)9-13/h2-3,8-9,12H,4-7,10-11,27H2,1H3,(H,28,31)
PDB
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n/an/a 158n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as reduction in low pH-induced receptor activation by measuring decrease in intr...


Bioorg Med Chem 26: 4509-4517 (2018)


Article DOI: 10.1016/j.bmc.2018.07.040
BindingDB Entry DOI: 10.7270/Q2348P1P
More data for this
Ligand-Target Pair