BDBM50223891 (S)-3-[3'-(2-cyclopropylamino-3,4-dioxo-cyclobut-1-enylamino)-biphenyl-4-yl]-2-(2,4,6-trimethyl-benzenesulfonylamino)-propionic acid::CHEMBL249990

SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(Nc2c(NC3CC3)c(=O)c2=O)c1)C(O)=O

InChI Key InChIKey=MLRJOXSFEYKLLF-VWLOTQADSA-N

Data  3 KI  1 Kd

  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 4 hits for monomerid = 50223891   

TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
Bayer Healthcare

Curated by ChEMBL
LigandPNGBDBM50223891((S)-3-[3'-(2-cyclopropylamino-3,4-dioxo-cyclobut-1...)
Affinity DataKi:  0.5nMAssay Description:Binding affinity to integrin alphavbeta3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
Bayer Healthcare

Curated by ChEMBL
LigandPNGBDBM50223891((S)-3-[3'-(2-cyclopropylamino-3,4-dioxo-cyclobut-1...)
Affinity DataKi:  0.5nMAssay Description:Antagonist activity at human alphaVbeta3 Integrin assessed as inhibition constantMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
Bayer Healthcare

Curated by ChEMBL
LigandPNGBDBM50223891((S)-3-[3'-(2-cyclopropylamino-3,4-dioxo-cyclobut-1...)
Affinity DataKi:  47nMAssay Description:Binding affinity to GP2b3a receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlbumin(Homo sapiens (Human))
Bayer Healthcare

Curated by ChEMBL
LigandPNGBDBM50223891((S)-3-[3'-(2-cyclopropylamino-3,4-dioxo-cyclobut-1...)
Affinity DataKd:  420nMAssay Description:Binding affinity to human serum albumin by equilibrium dialysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed