BDBM50199399 CHEMBL3909977::US10131658, Compound 212

SMILES NC(=N)NCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1

InChI Key InChIKey=TXDUNPFVQQSUTP-VXKWHMMOSA-N

Data  7 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 7 hits for monomerid = 50199399   

TargetIntegrin beta-8(Homo sapiens (Human))
University Of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50199399(CHEMBL3909977 | US10131658, Compound 212)
Affinity DataIC50:  2.50E+3nMAssay Description:Inhibition of human integrin alphaVbeta8-mediated human SNB19 cell adhesion to recombinant human TGFbeta1 LAP preincubated for 15 to 30 mins followed...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-V/beta-5(Homo sapiens (Human))
University Of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50199399(CHEMBL3909977 | US10131658, Compound 212)
Affinity DataIC50:  1.60E+3nMAssay Description:Inhibition of human wild type integrin alphaVbeta5-mediated human SW480 cell adhesion to vitronectin preincubated for 15 to 30 mins followed by 60 mi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
University Of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50199399(CHEMBL3909977 | US10131658, Compound 212)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of human integrin alphaVbeta3-mediated human SW480 cell adhesion to fibrinogen preincubated for 15 to 30 mins followed by 60 min incubatio...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-5/beta-1 [T112H](Homo sapiens (Human))
The Regents Of The University Of California

US Patent
LigandPNGBDBM50199399(CHEMBL3909977 | US10131658, Compound 212)
Affinity DataIC50:  505nMAssay Description:A panel of cell lines and integrin ligands were developed to allow rapid examination of potency and specificity of inhibitors against all 8 integrins...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
University Of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50199399(CHEMBL3909977 | US10131658, Compound 212)
Affinity DataIC50:  3.20E+3nMAssay Description:Inhibition of human integrin alpha5beta1-mediated human SW480 cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incubati...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-V/beta-1(Homo sapiens (Human))
University Of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50199399(CHEMBL3909977 | US10131658, Compound 212)
Affinity DataIC50:  0.251nMAssay Description:Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-V/beta-1(Homo sapiens (Human))
University Of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50199399(CHEMBL3909977 | US10131658, Compound 212)
Affinity DataIC50:  0.25nMAssay Description:Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed