BDBM50524292 CHEMBL4521504

SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)CCCCCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(N)=O

InChI Key InChIKey=NLHGANXJHMXRPV-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 = 50524292   

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

Curated by ChEMBL
LigandPNGBDBM50524292(CHEMBL4521504)
Affinity DataIC50: 18nMAssay 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
LigandPNGBDBM50524292(CHEMBL4521504)
Affinity DataIC50: 23nMAssay 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
TargetC-X-C chemokine receptor type 4(Human)
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM50524292(CHEMBL4521504)
Affinity DataIC50: 4.03E+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