BDBM25733 CHEMBL476614::Urea-based compound, 14::methyl 4-[(adamantan-1-ylcarbamoyl)amino]-2-hydroxybenzoate
SMILES: COC(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1O
InChI Key: InChIKey=PXJSHQUWAKRZPH-UHFFFAOYSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Epoxide Hydrolase B (EHB) (Mycobacterium tuberculosis) | BDBM25733 (CHEMBL476614 | Urea-based compound, 14 | methyl 4-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 30 | n/a | n/a | n/a | n/a | 7.0 | 30 |
University of Alberta | Assay Description Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax... | J Mol Biol 381: 897-912 (2008) Article DOI: 10.1016/j.jmb.2008.06.030 BindingDB Entry DOI: 10.7270/Q2D50K94 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human)) | BDBM25733 (CHEMBL476614 | Urea-based compound, 14 | methyl 4-...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University Curated by ChEMBL | Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins... | Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human)) | BDBM25733 (CHEMBL476614 | Urea-based compound, 14 | methyl 4-...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital Curated by ChEMBL | Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay | Bioorg Med Chem 19: 5585-95 (2011) Article DOI: 10.1016/j.bmc.2011.07.034 BindingDB Entry DOI: 10.7270/Q2V69JZ1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human)) | BDBM25733 (CHEMBL476614 | Urea-based compound, 14 | methyl 4-...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Entomology and University of California Davis Cancer Center Curated by ChEMBL | Assay Description Inhibition of human soluble epoxide hydrolase by fluorescence assay | Bioorg Med Chem Lett 19: 1784-9 (2009) Article DOI: 10.1016/j.bmcl.2009.01.069 BindingDB Entry DOI: 10.7270/Q2ZP461N | |||||||||||
More data for this Ligand-Target Pair |