BDBM50524293 CHEMBL4542285

SMILES CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(N)=N)C(=O)NCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(O)=O

InChI Key InChIKey=VUPWDSAIYNFQPO-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50524293   

TargetC-X-C chemokine receptor type 4(Human)
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM50524293(CHEMBL4542285)
Affinity DataIC50: 16nMAssay Description:Competitive binding affinity to CXCR4 receptor (unknown origin) expressed in CHO cells incubated for 40 mins by 12G5 antibody based fluorescence anal...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 4(Human)
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM50524293(CHEMBL4542285)
Affinity DataIC50: 2.87E+3nMAssay Description:Antagonist activity at CXCR4 receptor in human SupT1 cells assessed as inhibition of SDF-1alpha-induced chemotaxis at preincubated for 2 hrs followed...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 4(Human)
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM50524293(CHEMBL4542285)
Affinity DataIC50: 14nMAssay Description:Competitive binding affinity to CXCR4 in human SupT1 cells incubated for 40 mins by 12G5 antibody based fluorescence analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed