BDBM50508931 CHEMBL4542975

SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CCCC(=O)NCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(O)=O

InChI Key InChIKey=SAICHWHCFQOCAR-UHFFFAOYSA-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 = 50508931   

LigandPNGBDBM50508931(CHEMBL4542975)
Affinity DataIC50: 6.90E+3nMAssay Description:Binding affinity to GLUT1 in human PC3 cells assessed as cytotoxicity by measuring reduction in cell viability measured after 24 hrs by CCK8 assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
LigandPNGBDBM50508931(CHEMBL4542975)
Affinity DataIC50: 8.50E+3nMAssay Description:Binding affinity to GLUT1 in human NCI-H460 cells assessed as cytotoxicity by measuring reduction in cell viability measured after 24 hrs by CCK8 ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
LigandPNGBDBM50508931(CHEMBL4542975)
Affinity DataIC50: 9.60E+3nMAssay Description:Binding affinity to GLUT1 in human A549 cells assessed as cytotoxicity by measuring reduction in cell viability measured after 24 hrs by CCK8 assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
LigandPNGBDBM50508931(CHEMBL4542975)
Affinity DataIC50: 1.01E+4nMAssay Description:Binding affinity to GLUT1 in human MDA-MB-231 cells assessed as cytotoxicity by measuring reduction in cell viability measured after 24 hrs by CCK8 a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
LigandPNGBDBM50508931(CHEMBL4542975)
Affinity DataIC50: 1.26E+4nMAssay Description:Binding affinity to GLUT1 in human HGC27 cells assessed as cytotoxicity by measuring reduction in cell viability measured after 24 hrs by CCK8 assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
LigandPNGBDBM50508931(CHEMBL4542975)
Affinity DataIC50: 1.30E+4nMAssay Description:Binding affinity to GLUT1 in human NCI-H1437 cells assessed as cytotoxicity by measuring reduction in cell viability measured after 24 hrs by CCK8 as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
LigandPNGBDBM50508931(CHEMBL4542975)
Affinity DataIC50: 2.59E+4nMAssay Description:Binding affinity to GLUT1 in human L02 cells assessed as cytotoxicity by measuring reduction in cell viability measured after 24 hrs by CCK8 assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed