BindingDB PrimarySearch

BDBM50052440 CHEMBL104647::Phenyl-acetic acid (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-acetoxy-4a,7b-dihydroxy-3-[2-(4-hydroxy-3-methoxy-phenyl)-acetoxymethyl]-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl ester

SMILES: COc1cc(CC(=O)OCC2=C[C@H]3[C@@H]4C(C)(C)[C@]4(OC(C)=O)[C@H](OC(=O)Cc4ccccc4)[C@@H](C)[C@]3(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)ccc1O

InChI Key: InChIKey=OGRGWTXWAZBJKF-NIPWNYGTSA-N

Data: 7 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50052440
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Vanilloid receptor (Rattus norvegicus (rat))	BDBM50052440 (CHEMBL104647 \| Phenyl-acetic acid (1aR,1bS,4aR,7aS...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibitory constant for RTX binding to rat spinal cord				J Med Chem 39: 3123-31 (1996) Article DOI: 10.1021/jm960063l BindingDB Entry DOI: 10.7270/Q2VT1SRD
Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50052440 (CHEMBL104647 \| Phenyl-acetic acid (1aR,1bS,4aR,7aS...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibitory constant for RTX binding to porcine spinal cord				J Med Chem 39: 3123-31 (1996) Article DOI: 10.1021/jm960063l BindingDB Entry DOI: 10.7270/Q2VT1SRD
Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50052440 (CHEMBL104647 \| Phenyl-acetic acid (1aR,1bS,4aR,7aS...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibitory constant for RTX binding to human spinal cord				J Med Chem 39: 3123-31 (1996) Article DOI: 10.1021/jm960063l BindingDB Entry DOI: 10.7270/Q2VT1SRD
Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Vanilloid receptor (Rattus norvegicus (rat))	BDBM50052440 (CHEMBL104647 \| Phenyl-acetic acid (1aR,1bS,4aR,7aS...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Displacement of [3H]RTX binding from Vanilloid receptor of rat dorsal Root Ganglion (DRG) membranes				J Med Chem 39: 3123-31 (1996) Article DOI: 10.1021/jm960063l BindingDB Entry DOI: 10.7270/Q2VT1SRD
Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Vanilloid receptor (Rattus norvegicus (rat))	BDBM50052440 (CHEMBL104647 \| Phenyl-acetic acid (1aR,1bS,4aR,7aS...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of [3H]- RTX binding to vanilloid receptor of rat urinary bladder				J Med Chem 39: 3123-31 (1996) Article DOI: 10.1021/jm960063l BindingDB Entry DOI: 10.7270/Q2VT1SRD
Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50052440 (CHEMBL104647 \| Phenyl-acetic acid (1aR,1bS,4aR,7aS...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of [3H]- RTX binding to Vanilloid receptors from pig spinal cord				J Med Chem 39: 3123-31 (1996) Article DOI: 10.1021/jm960063l BindingDB Entry DOI: 10.7270/Q2VT1SRD
Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50052440 (CHEMBL104647 \| Phenyl-acetic acid (1aR,1bS,4aR,7aS...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of [3H]- RTX binding to Vanilloid receptors from human spinal cord				J Med Chem 39: 3123-31 (1996) Article DOI: 10.1021/jm960063l BindingDB Entry DOI: 10.7270/Q2VT1SRD
Institute Curated by ChEMBL					More data for this Ligand-Target Pair