BDBM50130542 2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl)-3-[3-(4-methanesulfonylamino-benzyl)-thioureido]-propyl ester::CHEMBL74881
SMILES: Cc1ccc(CC(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C
InChI Key: InChIKey=BYFLNNAMRBCAOL-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Vanilloid receptor (Rattus norvegicus (rat)) | BDBM50130542 (2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 29 | n/a | n/a | 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, weak effect at 30 nM | 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 | |||||||||||||
Vanilloid receptor (Rattus norvegicus (rat)) | BDBM50130542 (2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 29.3 | 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 towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement. | J Med Chem 46: 3116-26 (2003) Article DOI: 10.1021/jm030089u BindingDB Entry DOI: 10.7270/Q2SB4551 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vanilloid receptor (Rattus norvegicus (rat)) | BDBM50130542 (2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 29.3 | 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)) | BDBM50130542 (2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 67 | 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 | |||||||||||||
Vanilloid receptor (Rattus norvegicus (rat)) | BDBM50130542 (2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University Curated by ChEMBL | Assay Description Inhibition of capsaicin-induced [Ca2+] uptake by Rat Vanilloid receptor 1 (VR1) expressing CHO cells | J Med Chem 46: 3116-26 (2003) Article DOI: 10.1021/jm030089u BindingDB Entry DOI: 10.7270/Q2SB4551 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vanilloid receptor (Rattus norvegicus (rat)) | BDBM50130542 (2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University Curated by ChEMBL | Assay Description In vitro antagonist effect against 50 nM capsaicin-induced 45 [Ca2+] influx in vanilloid recptor expressing CHO cells | 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 |