BDBM50612657 CHEMBL5281510

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)N(CCCCCC(O)=O)[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key InChIKey=LSXXWLARMXXMGZ-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50612657   

TargetC-X-C chemokine receptor type 4(Human)
Tsinghua University

Curated by ChEMBL
LigandPNGBDBM50612657(CHEMBL5281510)
Affinity DataIC50: 101nMAssay Description:Displacement of 12G5 mAb from CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by spectrophotometric methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetC-X-C chemokine receptor type 4(Human)
Tsinghua University

Curated by ChEMBL
LigandPNGBDBM50612657(CHEMBL5281510)
Affinity DataIC50: 6.08E+3nMAssay Description:Antagonist activity against CXCR4 in human SUP-T1 cells assessed as inhibition of SDF-1alpha-induced cell migration preincubated with cells for 30 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed