BDBM41652 1-keto-7,8-dimethoxy-isothiochromene-3-carboxylic acid ethyl ester::7,8-dimethoxy-1-oxo-2-benzothiopyran-3-carboxylic acid ethyl ester::MLS000085560::SMR000020495::cid_699972::ethyl 7,8-dimethoxy-1-oxidanylidene-isothiochromene-3-carboxylate::ethyl 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylate::ethyl 7,8-dimethoxy-1-oxoisothiochromene-3-carboxylate

SMILES Cc1cc(N2CCOC[C@@H]2C(F)(F)F)cc(F)c1C(=O)N[C@@H](Cc1ccc(-n2c(=O)c3c(n(C)c2=O)CCOC3)c2ncccc12)C(=O)O

InChI Key InChIKey=SCZXIWDQCBCCOQ-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 = 41652   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 41652BDBM41652(US11116760, Example 412)
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