BDBM20321 3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-methanesulfonamidophenyl)methyl]thiourea::CHEMBL388824::JYL1421::thiourea analogue, 2
SMILES: CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
InChI Key: InChIKey=DUHBVFMCIJLUJX-UHFFFAOYSA-N
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 |
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Vanilloid receptor (Rattus norvegicus (rat)) | BDBM20321 (3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 9.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University Curated by ChEMBL | Assay Description Antagonist activity towards rat TRPV1 expressed in CHO cells | Bioorg Med Chem Lett 15: 4143-50 (2005) Article DOI: 10.1016/j.bmcl.2005.06.006 BindingDB Entry DOI: 10.7270/Q2JH3KQB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vanilloid receptor (Rattus norvegicus (rat)) | BDBM20321 (3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 9.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University Curated by ChEMBL | Assay Description Antagonist activity for rat TRPV1 expressed in CHO cells | Bioorg Med Chem Lett 15: 4136-42 (2005) Article DOI: 10.1016/j.bmcl.2005.06.009 BindingDB Entry DOI: 10.7270/Q23B5ZN0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vanilloid receptor (Rattus norvegicus (rat)) | BDBM20321 (3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute Curated by PDSP Ki Database | Mol Pharmacol 62: 947-56 (2002) Article DOI: 10.1124/mol.62.4.947 BindingDB Entry DOI: 10.7270/Q2W094HG | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vanilloid receptor (Rattus norvegicus (rat)) | BDBM20321 (3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University Curated by ChEMBL | Assay Description Antagonist activity at rat TRPV1 receptor expressed in CHO cells assessed as decrease in capsaicin-induced intracellular 45Ca2+ uptake after 1 hr by ... | Bioorg Med Chem 20: 215-24 (2011) Article DOI: 10.1016/j.bmc.2011.11.008 BindingDB Entry DOI: 10.7270/Q2MG7QJJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human)) | BDBM20321 (3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University Curated by ChEMBL | Assay Description Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay | J Med Chem 55: 8392-408 (2012) Article DOI: 10.1021/jm300780p BindingDB Entry DOI: 10.7270/Q2TX3GH1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vanilloid receptor (Rattus norvegicus (rat)) | BDBM20321 (3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 53.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University Curated by ChEMBL | Assay Description In vitro binding affinity for rat TRPV1 expressed in CHO cells using [3H]-RTX | Bioorg Med Chem Lett 15: 4136-42 (2005) Article DOI: 10.1016/j.bmcl.2005.06.009 BindingDB Entry DOI: 10.7270/Q23B5ZN0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vanilloid receptor (Rattus norvegicus (rat)) | BDBM20321 (3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 53.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University Curated by ChEMBL | Assay Description Displacement of [3H]RTX from rat TRPV1 receptor expressed in CHO cells after 60 mins by scintillation counting | Bioorg Med Chem 20: 215-24 (2011) Article DOI: 10.1016/j.bmc.2011.11.008 BindingDB Entry DOI: 10.7270/Q2MG7QJJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vanilloid receptor (Rattus norvegicus (rat)) | BDBM20321 (3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 53.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University Curated by ChEMBL | Assay Description In vitro inhibition of [3H]-RTX binding to rat TRPV1 expressed in CHO cells | Bioorg Med Chem Lett 15: 4143-50 (2005) Article DOI: 10.1016/j.bmcl.2005.06.006 BindingDB Entry DOI: 10.7270/Q2JH3KQB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vanilloid receptor (Rattus norvegicus (rat)) | BDBM20321 (3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 53.5 | -10.3 | n/a | n/a | 9.20 | n/a | n/a | 7.4 | 37 |
Seoul National University | Assay Description Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b... | Bioorg Med Chem 15: 6043-53 (2007) Article DOI: 10.1016/j.bmc.2007.06.041 BindingDB Entry DOI: 10.7270/Q2X928KS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vanilloid receptor (Rattus norvegicus (rat)) | BDBM20321 (3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Sookmyung Women's University Curated by ChEMBL | Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated intracellular 45Ca2+ influx by scintillat... | Bioorg Med Chem 18: 111-6 (2010) Article DOI: 10.1016/j.bmc.2009.11.014 BindingDB Entry DOI: 10.7270/Q2TQ61NH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vanilloid receptor (Rattus norvegicus-Rattus norvegicus (rat)) | BDBM20321 (3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University Curated by ChEMBL | Assay Description Inhibition of [Ca2+] uptake in dorsal root ganglion (DRG) neurons from neonatal Sprague-Dawley rat | Bioorg Med Chem Lett 13: 4389-93 (2003) BindingDB Entry DOI: 10.7270/Q2KH0QJX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human)) | BDBM20321 (3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University Curated by ChEMBL | Assay Description Concentration required to inhibit [3H]-RTX radioligand binding towards transient receptor potential cation channel (subfamily V, member 1) expressed ... | J Med Chem 48: 5823-36 (2005) Article DOI: 10.1021/jm0502790 BindingDB Entry DOI: 10.7270/Q2057FGN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vanilloid receptor (Rattus norvegicus (rat)) | BDBM20321 (3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Sookmyung Women's University Curated by ChEMBL | Assay Description Agonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as intracellular 45Ca2+ influx by scintillation counting | Bioorg Med Chem 18: 111-6 (2010) Article DOI: 10.1016/j.bmc.2009.11.014 BindingDB Entry DOI: 10.7270/Q2TQ61NH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human)) | BDBM20321 (3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a |
Seoul National University Curated by ChEMBL | Assay Description Concentration required to antagonized capsaicin-induced calcium uptake at the transient receptor potential cation channel (subfamily V member 1) expr... | J Med Chem 48: 5823-36 (2005) Article DOI: 10.1021/jm0502790 BindingDB Entry DOI: 10.7270/Q2057FGN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vanilloid receptor (Rattus norvegicus (rat)) | BDBM20321 (3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University Curated by ChEMBL | Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake | Bioorg Med Chem 17: 3557-67 (2009) Article DOI: 10.1016/j.bmc.2009.04.010 BindingDB Entry DOI: 10.7270/Q2V124QJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vanilloid receptor (Rattus norvegicus (rat)) | BDBM20321 (3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University Curated by ChEMBL | Assay Description Inhibitory effect on capsaicin (0.5 uM)-induced calcium uptake in rat DRG neurons upon incubation at RT for 10 minutes | J Med Chem 48: 5823-36 (2005) Article DOI: 10.1021/jm0502790 BindingDB Entry DOI: 10.7270/Q2057FGN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vanilloid receptor (Rattus norvegicus-Rattus norvegicus (rat)) | BDBM20321 (3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University Curated by ChEMBL | Assay Description In vitro inhibitory concentration was determined against [45Ca2+]- influx in rat DRG neurons | Bioorg Med Chem Lett 14: 1693-6 (2004) BindingDB Entry DOI: 10.7270/Q23B6294 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vanilloid receptor (Rattus norvegicus (rat)) | BDBM20321 (3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University Curated by ChEMBL | Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake | Bioorg Med Chem 17: 8149-60 (2009) Article DOI: 10.1016/j.bmc.2009.10.043 BindingDB Entry DOI: 10.7270/Q2NV9JBN | |||||||||||
More data for this Ligand-Target Pair |