BDBM50319986 CHEMBL1085743::N-(3,3-bis(4-fluorophenyl)propyl)-3-(pyrazin-2-yl)pyrrolidine-1-carboxamide
SMILES: Fc1ccc(cc1)C(CCNC(=O)N1CCC(C1)c1cnccn1)c1ccc(F)cc1
InChI Key: InChIKey=SHGFMISVWSSDPI-UHFFFAOYSA-N
Data: 3 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human)) | BDBM50319986 (CHEMBL1085743 | N-(3,3-bis(4-fluorophenyl)propyl)-...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of human soluble epoxide hydrolase assessed as [2-3H]-trans-1,3-diphenyl propylene oxide hydrolysis by cellular assay | Bioorg Med Chem Lett 20: 3703-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.078 BindingDB Entry DOI: 10.7270/Q2BV7GTJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50319986 (CHEMBL1085743 | N-(3,3-bis(4-fluorophenyl)propyl)-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of CYP2C9 | Bioorg Med Chem Lett 20: 3703-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.078 BindingDB Entry DOI: 10.7270/Q2BV7GTJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human)) | BDBM50319986 (CHEMBL1085743 | N-(3,3-bis(4-fluorophenyl)propyl)-...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of human soluble epoxide hydrolase | Bioorg Med Chem Lett 20: 3703-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.078 BindingDB Entry DOI: 10.7270/Q2BV7GTJ | |||||||||||
More data for this Ligand-Target Pair |