BDBM41657 5-[3-(3,5-dimethyl-1-pyrazolyl)-2-hydroxypropoxy]-1,2-dimethyl-3-indolecarboxylic acid ethyl ester::5-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxy-propoxy]-1,2-dimethyl-indole-3-carboxylic acid ethyl ester::MLS000049871::SMR000076914::cid_2956626::ethyl 5-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-1,2-dimethyl-1H-indole-3-carboxylate::ethyl 5-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate::ethyl 5-[3-(3,5-dimethylpyrazol-1-yl)-2-oxidanyl-propoxy]-1,2-dimethyl-indole-3-carboxylate

SMILES COc1cnc2c(=O)n(-c3ccc(C[C@H](NC(=O)c4c(C)cc(N5CCOC[C@@H]5C(F)(F)F)cc4F)C(=O)O)c4cccnc34)c(=O)n(C)c2c1

InChI Key InChIKey=JQVVYVAFXFRXTE-UHFFFAOYSA-N

Data  2 EC50

  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 = 41657   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 41657BDBM41657(US11116760, Example 415)
Affinity DataEC50:  0.0910nMAssay Description:The CHO cell line was cultured in T-175 flasks at 37 degrees C and 95% relative humidity (RH). The growth media consisted of Dulbecco's Modified ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2026
Entry Details
US Patent