BDBM41736 3-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one::3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one::3-[2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl]-5,6-dimethyl-4-thieno[2,3-d]pyrimidinone::3-[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one::SR-01000759090-1::cid_7629932

SMILES Cn1c(=O)c(-c2ccc(C[C@H](NC(=O)c3c(F)cc(N4CCOC[C@@H]4C(F)(F)F)cc3F)C(=O)O)c3cccnc23)nc2ccccc21

InChI Key InChIKey=FOMMOZCAXCOZLE-UHFFFAOYSA-N

Data  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 41736   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 41736BDBM41736(US11116760, Example 484)
Affinity DataEC50:  0.143nMAssay Description:cell-based assay using HEK293-gfpPLD2 cell lineMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2026
Entry Details
US Patent