BDBM41642 2-(1-Allyl-6-amino-4-oxo-1,4-dihydro-pyrimidin-2-ylsulfanyl)-N-phenyl-acetamide::2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-phenylacetamide::2-(6-azanyl-4-oxidanylidene-1-prop-2-enyl-pyrimidin-2-yl)sulfanyl-N-phenyl-ethanamide::2-[(1-allyl-6-amino-4-keto-pyrimidin-2-yl)thio]-N-phenyl-acetamide::2-[(6-amino-4-oxo-1-prop-2-enyl-2-pyrimidinyl)thio]-N-phenylacetamide::MLS000075089::SMR000014184::cid_655216

SMILES Cc1cc(N2CCOC[C@@H]2C(F)(F)F)cc(F)c1C(=O)N[C@@H](Cc1ccc(-n2c(=O)c3cncnc3n(C)c2=O)c2ncccc12)C(=O)O

InChI Key InChIKey=MZXQZQFSQQBJOG-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 = 41642   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 41642BDBM41642(US11116760, Example 406)
Affinity DataEC50:  0.0800nMAssay 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