BDBM50277754 2-(3-(7-hydroxy-4,5-dihydronaphtho[2,1-d]isoxazol-3-yl)propanamido)cyclopent-1-enecarboxylic acid::CHEMBL485326
SMILES: OC(=O)C1=C(CCC1)NC(=O)CCc1noc-2c1CCc1cc(O)ccc-21
InChI Key: InChIKey=JIRAUVHYTNPNIG-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 2C8 (Homo sapiens (Human)) | BDBM50277754 (2-(3-(7-hydroxy-4,5-dihydronaphtho[2,1-d]isoxazol-...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of CYP2C8 in human liver microsomes using montelukast substrate | J Med Chem 52: 2587-602 (2009) Article DOI: 10.1021/jm900151e BindingDB Entry DOI: 10.7270/Q2RJ4JDG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human)) | BDBM50277754 (2-(3-(7-hydroxy-4,5-dihydronaphtho[2,1-d]isoxazol-...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Agonist activity at human GPR109A expressed in CHOK1 cells by [35S]GTPgammaS binding assay | J Med Chem 52: 2587-602 (2009) Article DOI: 10.1021/jm900151e BindingDB Entry DOI: 10.7270/Q2RJ4JDG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human)) | BDBM50277754 (2-(3-(7-hydroxy-4,5-dihydronaphtho[2,1-d]isoxazol-...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]niacin from human GPR109A expressed in CHO cells | J Med Chem 52: 2587-602 (2009) Article DOI: 10.1021/jm900151e BindingDB Entry DOI: 10.7270/Q2RJ4JDG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50277754 (2-(3-(7-hydroxy-4,5-dihydronaphtho[2,1-d]isoxazol-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac substrate | J Med Chem 52: 2587-602 (2009) Article DOI: 10.1021/jm900151e BindingDB Entry DOI: 10.7270/Q2RJ4JDG | |||||||||||
More data for this Ligand-Target Pair |