BDBM50589354 CHEMBL5208467

SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CSCc3cc4CSC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]5CCCN5C1=O)[C@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CSCc(c4)c3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)N2

InChI Key InChIKey=GRHCYZBYNORHKC-UHFFFAOYSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50589354   

TargetIntegrin alpha-5/beta-1(Human)
Hefei Normal University

Curated by ChEMBL
LigandPNGBDBM50589354(CHEMBL5208467)
Affinity DataIC50: 154nMAssay Description:Inhibition of alpha5beta1 integrin receptor expressed on human surface of adipose tissue-derived stem cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetIntegrin alpha-V/beta-3(Human)
Hefei Normal University

Curated by ChEMBL
LigandPNGBDBM50589354(CHEMBL5208467)
Affinity DataIC50: 200nMAssay Description:Inhibition of alphavbeta3 integrin receptor-mediated cell adhesion to fibrinogen in human HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetIntegrin alpha-IIb/beta-3(Human)
Hefei Normal University

Curated by ChEMBL
LigandPNGBDBM50589354(CHEMBL5208467)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of alpha2bbeta3 integrin receptor expressed on human surface of plateletsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetIntegrin alpha-V/beta-3(Human)
Hefei Normal University

Curated by ChEMBL
LigandPNGBDBM50589354(CHEMBL5208467)
Affinity DataIC50: 2.51E+4nMAssay Description:Inhibition of alphavbeta3 integrin receptor-mediated cell adhesion to fibrinogen in human SK-OV-3 cells expressing alphavbeta5 integrin receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetIntegrin alpha-V/beta-5(Human)
Hefei Normal University

Curated by ChEMBL
LigandPNGBDBM50589354(CHEMBL5208467)
Affinity DataIC50: 3.02E+4nMAssay Description:Inhibition of alphavbeta5 integrin receptor-mediated cell adhesion to vitronectin in human HT-29 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed