BDBM50241116 CHEMBL4066332
SMILES: CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(NS(C)(=O)=O)cc1Cl
InChI Key: InChIKey=IMPXBWVTYSVBEU-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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Peroxisome proliferator-activated receptor (Homo sapiens (Human)) | BDBM50241116 (CHEMBL4066332) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.47E+4 | n/a | n/a | n/a | n/a |
Goethe University Frankfurt Curated by ChEMBL | Assay Description Transactivation of human GAL4-fused PPARgamma ligand binding domain expressed in HEL293T cells after 12 to 14 hrs by dual-glo luciferase reporter gen... | J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human)) | BDBM50241116 (CHEMBL4066332) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Goethe University Frankfurt Curated by ChEMBL | Assay Description Inhibition of sEH in human HepG2 cells using 14(15)-EET-d11 as substrate assessed as reduction in conversion of 14(15)-EET-d11 to 14(15)-DHET-d11 pre... | J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile acid receptor (Homo sapiens (Human)) | BDBM50241116 (CHEMBL4066332) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a |
Goethe University Frankfurt Curated by ChEMBL | Assay Description Binding affinity to FXR ligand binding domain (unknown origin) isothermal titration calorimetry assay | J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile acid receptor (Homo sapiens (Human)) | BDBM50241116 (CHEMBL4066332) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Goethe University Frankfurt Curated by ChEMBL | Assay Description Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay | J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human)) | BDBM50241116 (CHEMBL4066332) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Goethe University Frankfurt Curated by ChEMBL | Assay Description Inhibition of recombinant v-Abl tyrosine kinase. | J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W | |||||||||||
More data for this Ligand-Target Pair |