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BDBM50241484 CHEMBL4095861

SMILES: CC1CCN(CC1)c1nc(ccc1CNC(=O)Nc1cccc2NC(=O)COc12)C(F)(F)F

InChI Key: InChIKey=RTNGFMPUJGMFIJ-UHFFFAOYSA-N

Data: 2 KI  2 Kd

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 = 50241484   
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))
BDBM50241484
PNG
(CHEMBL4095861)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Nc1cccc2NC(=O)COc12)C(F)(F)F
Show InChI InChI=1S/C22H24F3N5O3/c1-13-7-9-30(10-8-13)20-14(5-6-17(29-20)22(23,24)25)11-26-21(32)28-16-4-2-3-15-19(16)33-12-18(31)27-15/h2-6,13H,7-12H2,1H3,(H,27,31)(H2,26,28,32)
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Article
PubMed
0.630n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in CHO cell membranes after 45 mins by scintillation counting method


J Med Chem 60: 8246-8252 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00859
BindingDB Entry DOI: 10.7270/Q2QV3PNP
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50241484
PNG
(CHEMBL4095861)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Nc1cccc2NC(=O)COc12)C(F)(F)F
Show InChI InChI=1S/C22H24F3N5O3/c1-13-7-9-30(10-8-13)20-14(5-6-17(29-20)22(23,24)25)11-26-21(32)28-16-4-2-3-15-19(16)33-12-18(31)27-15/h2-6,13H,7-12H2,1H3,(H,27,31)(H2,26,28,32)
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6.5n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRPV1 after 45 mins by scintillation counting method


J Med Chem 60: 8246-8252 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00859
BindingDB Entry DOI: 10.7270/Q2QV3PNP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50241484
PNG
(CHEMBL4095861)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Nc1cccc2NC(=O)COc12)C(F)(F)F
Show InChI InChI=1S/C22H24F3N5O3/c1-13-7-9-30(10-8-13)20-14(5-6-17(29-20)22(23,24)25)11-26-21(32)28-16-4-2-3-15-19(16)33-12-18(31)27-15/h2-6,13H,7-12H2,1H3,(H,27,31)(H2,26,28,32)
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Article
PubMed
n/an/an/a 0.589n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding affinity to human TRPV1 expressed in CHO cells after 45 mins by scintillation counting method


J Med Chem 60: 8246-8252 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00859
BindingDB Entry DOI: 10.7270/Q2QV3PNP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50241484
PNG
(CHEMBL4095861)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Nc1cccc2NC(=O)COc12)C(F)(F)F
Show InChI InChI=1S/C22H24F3N5O3/c1-13-7-9-30(10-8-13)20-14(5-6-17(29-20)22(23,24)25)11-26-21(32)28-16-4-2-3-15-19(16)33-12-18(31)27-15/h2-6,13H,7-12H2,1H3,(H,27,31)(H2,26,28,32)
PDB
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UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/an/a 0.590n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding affinity to human TRPV1 expressed in CHO cells after 45 mins by scintillation counting method


J Med Chem 60: 8246-8252 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00859
BindingDB Entry DOI: 10.7270/Q2QV3PNP
More data for this
Ligand-Target Pair