BDBM41582 4-Hydroxy-4-methyl-6-oxo-2-phenyl-cyclohexane-1,3-dicarboxylic acid diethyl ester::4-hydroxy-4-methyl-6-oxo-2-phenylcyclohexane-1,3-dicarboxylic acid diethyl ester::4-hydroxy-6-keto-4-methyl-2-phenyl-cyclohexane-1,3-dicarboxylic acid diethyl ester::MLS000120845::SMR000118258::cid_98466::diethyl 4-hydroxy-4-methyl-6-oxo-2-phenylcyclohexane-1,3-dicarboxylate::diethyl 4-methyl-4-oxidanyl-6-oxidanylidene-2-phenyl-cyclohexane-1,3-dicarboxylate

SMILES N#Cc1ccc(-c2ccc(C[C@H](NC(=O)c3c(Cl)cc4cc[nH]c4c3Cl)C(=O)O)c3cccnc23)c(Cl)c1

InChI Key InChIKey=CTJJZDVAZHJFDR-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 41582   

TargetIntegrin alpha-4/beta-7(Human)
Gilead Sciences

US Patent
LigandChemical structure of BindingDB Monomer ID 41582BDBM41582(US11116760, Example 317)
Affinity DataEC50:  13.8nMAssay Description:To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2026
Entry Details
US Patent