BDBM694528 US20240293587, Compound P5i

SMILES C[C@H]1N(CCCCCCNC(=N)NCCCCCCNC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)CCCCC[N+]2=C(\C=C\C=C\C=C3\N(CCO[C@H]4OC(CO)[C@@H](O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)[C@H](O)C4O)c4ccc(cc4C3(C)C)S(O)(=O)=O)C(C)(C)c3cc(ccc23)S([O-])(=O)=O)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O

InChI Key InChIKey=LJOJFGFRQPNISE-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 694528   

TargetC-X-C chemokine receptor type 4(Mouse)
Technische University Munchen

US Patent
LigandPNGBDBM694528(US20240293587, Compound P5i)
Affinity DataIC50: 92nMAssay Description:For IC50 determination using Jurkat or Eμ-Myc1080 cells, samples containing 2×105 cells (or 4×105 cells; exact cell number used in the respectiv...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
12/21/2024
Entry Details
US Patent

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

US Patent
LigandPNGBDBM694528(US20240293587, Compound P5i)
Affinity DataIC50: 147nMAssay Description:For IC50 determination using Jurkat or Eμ-Myc1080 cells, samples containing 2×105 cells (or 4×105 cells; exact cell number used in the respectiv...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
12/21/2024
Entry Details
US Patent