BDBM20293 2-[(3,4-dimethylphenyl)methyl]-3-({[(3-fluoro-4-methanesulfonamidophenyl)methyl]carbamothioyl}amino)propyl 2,2-dimethylpropanoate::CHEMBL254245::thiourea antagonist, 2b
SMILES: Cc1ccc(CC(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C
InChI Key: InChIKey=MBFLALIYFBMPJK-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)) | BDBM20293 (2-[(3,4-dimethylphenyl)methyl]-3-({[(3-fluoro-4-me...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 7.80 | 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)) | BDBM20293 (2-[(3,4-dimethylphenyl)methyl]-3-({[(3-fluoro-4-me...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 7.80 | 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)) | BDBM20293 (2-[(3,4-dimethylphenyl)methyl]-3-({[(3-fluoro-4-me...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 54 | 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)) | BDBM20293 (2-[(3,4-dimethylphenyl)methyl]-3-({[(3-fluoro-4-me...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 54 | 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)) | BDBM20293 (2-[(3,4-dimethylphenyl)methyl]-3-({[(3-fluoro-4-me...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 54 | -10.3 | n/a | n/a | 7.80 | 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)) | BDBM20293 (2-[(3,4-dimethylphenyl)methyl]-3-({[(3-fluoro-4-me...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 54 | 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 | |||||||||||||
Vanilloid receptor (Rattus norvegicus (rat)) | BDBM20293 (2-[(3,4-dimethylphenyl)methyl]-3-({[(3-fluoro-4-me...) | 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 | 7.80 | 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 |