BDBM20287 2-[(4-tert-butylphenyl)methyl]-3-({[(3-fluoro-4-methanesulfonamidophenyl)methyl]carbamothioyl}amino)propyl 2,2-dimethylpropanoate::CHEMBL253392::thiourea antagonist, 2a
SMILES: CC(C)(C)C(=O)OCC(CNC(=S)NCc1ccc(NS(C)(=O)=O)c(F)c1)Cc1ccc(cc1)C(C)(C)C
InChI Key: InChIKey=XHEXBBPSQHCXFU-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)) | BDBM20287 (2-[(4-tert-butylphenyl)methyl]-3-({[(3-fluoro-4-me...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 22.6 | -10.8 | n/a | n/a | 52 | 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... | J Med Chem 51: 57-67 (2008) Article DOI: 10.1021/jm701049p BindingDB Entry DOI: 10.7270/Q2222S1N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vanilloid receptor (Rattus norvegicus (rat)) | BDBM20287 (2-[(4-tert-butylphenyl)methyl]-3-({[(3-fluoro-4-me...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 22.6 | 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 expressed in CHO cells | Bioorg Med Chem Lett 22: 3656-60 (2012) Article DOI: 10.1016/j.bmcl.2012.04.034 BindingDB Entry DOI: 10.7270/Q2RV0PP9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vanilloid receptor (Rattus norvegicus (rat)) | BDBM20287 (2-[(4-tert-butylphenyl)methyl]-3-({[(3-fluoro-4-me...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University Curated by ChEMBL | Assay Description Binding affinity towards rat vanilloid receptor subtype 1 expressed in CHO cells by [3H]-RTX displacement. | Bioorg Med Chem Lett 14: 2291-7 (2004) Article DOI: 10.1016/j.bmcl.2004.02.002 BindingDB Entry DOI: 10.7270/Q2TT4QCG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human)) | BDBM20287 (2-[(4-tert-butylphenyl)methyl]-3-({[(3-fluoro-4-me...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 23 | 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 human TRPV1 expressed in CHO cells after 60 mins by liquid scintillation counting analysis | Bioorg Med Chem Lett 24: 382-5 (2013) Article DOI: 10.1016/j.bmcl.2013.10.064 BindingDB Entry DOI: 10.7270/Q29K4CP9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vanilloid receptor (Rattus norvegicus (rat)) | BDBM20287 (2-[(4-tert-butylphenyl)methyl]-3-({[(3-fluoro-4-me...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 52 | 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 expressed in CHO cells assessed as inhibition of 45Ca2+ uptake | Bioorg Med Chem Lett 22: 3656-60 (2012) Article DOI: 10.1016/j.bmcl.2012.04.034 BindingDB Entry DOI: 10.7270/Q2RV0PP9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human)) | BDBM20287 (2-[(4-tert-butylphenyl)methyl]-3-({[(3-fluoro-4-me...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 122 | 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 CHO cells assessed as inhibition of RTX-induced 45Ca2+ uptake after 20 mins by liquid scintillation c... | Bioorg Med Chem Lett 24: 382-5 (2013) Article DOI: 10.1016/j.bmcl.2013.10.064 BindingDB Entry DOI: 10.7270/Q29K4CP9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vanilloid receptor (Rattus norvegicus (rat)) | BDBM20287 (2-[(4-tert-butylphenyl)methyl]-3-({[(3-fluoro-4-me...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University Curated by ChEMBL | Assay Description Agonist effect on 45 [Ca2+] influx in vanilloid receptor expressing CHO cells relative to maximal capsaicin (300 nM) response | Bioorg Med Chem Lett 14: 2291-7 (2004) Article DOI: 10.1016/j.bmcl.2004.02.002 BindingDB Entry DOI: 10.7270/Q2TT4QCG | |||||||||||
More data for this Ligand-Target Pair |