BDBM465322 US10793564, Compound 111::US11419869, Compound 111::US11560376, Compound 111::US20230271960, Compound 111::US20230293519, Compound 111

SMILES OC(=O)[C@H](CCN(CCCCc1ccc2CCCNc2n1)CCOc1ccccc1)Nc1ncc(cn1)C#N

InChI Key InChIKey=KGLKXFBEHNTXQA-SANMLTNESA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 465322   

Targetalphavbeta6 inhibitionrange(Homo sapiens (Human))
Pliant Therapeutics

US Patent
LigandPNGBDBM465322(US10793564, Compound 111 | US11419869, Compound 11...)
Affinity DataIC50: <50nMAssay Description:Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIntegrin alpha-5/beta-6(Homo sapiens (Human))
Pliant Therapeutics

US Patent
LigandPNGBDBM465322(US10793564, Compound 111 | US11419869, Compound 11...)
Affinity DataIC50: <50nMAssay Description:Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
Targetalphavbeta6 inhibitionrange(Homo sapiens (Human))
Pliant Therapeutics

US Patent
LigandPNGBDBM465322(US10793564, Compound 111 | US11419869, Compound 11...)
Affinity DataIC50: <50nMAssay Description:Microplates were coated with recombinant human integrin alphavbeta6 (2 ug/mL) in PBS (100 uL/well 25 C., overnight). The coating solution was removed...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
Targetalphavbeta6 inhibitionrange(Homo sapiens (Human))
Pliant Therapeutics

US Patent
LigandPNGBDBM465322(US10793564, Compound 111 | US11419869, Compound 11...)
Affinity DataIC50: <50nMAssay Description:Microplates were coated with recombinant human integrin αvβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
Targetalphavbeta6 inhibitionrange(Homo sapiens (Human))
Pliant Therapeutics

US Patent
LigandPNGBDBM465322(US10793564, Compound 111 | US11419869, Compound 11...)
Affinity DataIC50: <50nMAssay Description:A third series of exemplary compounds was selected for testing in the solid phase integrin αvβ6 binding assay. The compounds tested were co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent