BDBM41656 4-keto-9,10-dimethoxy-2,3,6,7-tetrahydrobenzo[a]quinolizine-1-carbonitrile::9,10-dimethoxy-4-oxidanylidene-2,3,6,7-tetrahydrobenzo[a]quinolizine-1-carbonitrile::9,10-dimethoxy-4-oxo-2,3,6,7-tetrahydrobenzo[a]quinolizine-1-carbonitrile::9,10-dimethoxy-4-oxo-3,4,6,7-tetrahydro-2H-pyrido[2,1-a]isoquinoline-1-carbonitrile::MLS000097043::SMR000075687::cid_977094

SMILES Cn1c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(N4CCOC[C@@H]4C(F)(F)F)cc3Cl)C(=O)O)c3cccnc23)c(=O)c2ccncc21

InChI Key InChIKey=PTZHCSZOLMODSW-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 = 41656   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 41656BDBM41656(US11116760, Example 414)
Affinity DataEC50:  0.0480nMAssay 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