Target family: Chemokine receptors (type: gpcr)
Target: CXCR4

Ligand: ALX40-4C (Peptide)
Interaction type: Agonist
Action: Partial agonist
Ligand approved: no
Primary target: no
Median affinity: 6.099999904632568 pIC50
Reference (Journal): A point mutation that confers constitutive activity to CXCR4 reveals that T140 is an inverse agonist and that AMD3100 and ALX40-4C are weak partial agonists.
Published in: J Biol Chem

Ligand: balixafortide (Peptide)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): Mobilization of hematopoietic stem cells with the novel CXCR4 antagonist POL6326 (balixafortide) in healthy volunteers-results of a dose escalation trial.
Published in: J Transl Med

Ligand: compound 46c [PMID: 29350534] (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Primary target: no
Median affinity: 7.809999942779541 pIC50
Reference (Journal): Discovery of Tetrahydroisoquinoline-Containing CXCR4 Antagonists with Improved in Vitro ADMET Properties.
Published in: J Med Chem

Ligand: compound 46c [PMID: 29350534] (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Primary target: no
Median affinity: 8.029999732971191 pIC50
Reference (Journal): Discovery of Tetrahydroisoquinoline-Containing CXCR4 Antagonists with Improved in Vitro ADMET Properties.
Published in: J Med Chem

Ligand: compound XVI [PMID: 38863440] (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Primary target: no
Median affinity: 8.489999771118164 pIC50
Reference (Journal): Synthetically Feasible De Novo Molecular Design of Leads Based on a Reinforcement Learning Model: AI-Assisted Discovery of an Anti-IBD Lead Targeting CXCR4.
Published in: J Med Chem

Ligand: CX549 (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Primary target: no
Median affinity: 7.300000190734863 pIC50
Reference (Journal): A Novel CXCR4 Antagonist CX549 Induces Neuroprotection in Stroke Brain.
Published in: Cell Transplant

Ligand: CXCL12-(1-17) (Peptide)
Interaction type: Agonist
Action: Full agonist
Ligand approved: no
Median affinity: 6.1 pKi
Reference (Journal): N-terminal peptides of stromal cell-derived factor-1 with CXC chemokine receptor 4 agonist and antagonist activities.
Published in: J Biol Chem

Ligand: CXCL12-(1-9) (Peptide)
Interaction type: Agonist
Action: Full agonist
Ligand approved: no
Median affinity: 4.9 pKi
Reference (Journal): N-terminal peptides of stromal cell-derived factor-1 with CXC chemokine receptor 4 agonist and antagonist activities.
Published in: J Biol Chem

Ligand: CXCL12-(1-9) dimer (Peptide)
Interaction type: Agonist
Action: Full agonist
Ligand approved: no
Median affinity: 6.1 pKi
Reference (Journal): N-terminal peptides of stromal cell-derived factor-1 with CXC chemokine receptor 4 agonist and antagonist activities.
Published in: J Biol Chem

Ligand: CXCL12α (Peptide)
Interaction type: Agonist
Action: Full agonist
Ligand approved: no
Median affinity:  pKd
Reference (Journal): N-terminal peptides of stromal cell-derived factor-1 with CXC chemokine receptor 4 agonist and antagonist activities.
Published in: J Biol Chem

Ligand: CXCL12α (Peptide)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Primary target: no
Median affinity: 9.300000190734863 pIC50
Reference (Journal): Structure-based exploration and pharmacological evaluation of N-substituted piperidin-4-yl-methanamine CXCR4 chemokine receptor antagonists.
Published in: Eur J Med Chem

Ligand: CXCL12α (Peptide)
Interaction type: Agonist
Action: Full agonist
Ligand approved: no
Median affinity:  pKd
Reference (Journal): Identification and characterization of the CXCR4 chemokine receptor in human T cell lines: ligand binding, biological activity, and HIV-1 infectivity.
Published in: J Immunol

Ligand: CXCL12β (Peptide)
Interaction type: Agonist
Action: Full agonist
Ligand approved: no
Median affinity: 7.86 pKd
Reference (Journal): Identification and characterization of the CXCR4 chemokine receptor in human T cell lines: ligand binding, biological activity, and HIV-1 infectivity.
Published in: J Immunol

Ligand: CXCL12δ (Peptide)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): Identification and expression of novel isoforms of human stromal cell-derived factor 1.
Published in: Gene

Ligand: CXCL12ε (Peptide)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): Identification and expression of novel isoforms of human stromal cell-derived factor 1.
Published in: Gene

Ligand: CXCL12γ (Peptide)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): Identification and expression of novel isoforms of human stromal cell-derived factor 1.
Published in: Gene

Ligand: CXCL12γ (Peptide)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): The CXCL12gamma chemokine displays unprecedented structural and functional properties that make it a paradigm of chemoattractant proteins.
Published in: PLoS ONE

Ligand: CXCL12φ (Peptide)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): Identification and expression of novel isoforms of human stromal cell-derived factor 1.
Published in: Gene

Ligand: CXCL122 (dimer) (Peptide)
Interaction type: Agonist
Action: Partial agonist
Ligand approved: no
Primary target: no
Median affinity: 6 pKd
Reference (Journal): Monomeric and dimeric CXCL12 inhibit metastasis through distinct CXCR4 interactions and signaling pathways.
Published in: Proc Natl Acad Sci USA

Ligand: CXCL12H25R (monomer) (Peptide)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Primary target: no
Median affinity: 7.820000171661377 pKd
Reference (Journal): Monomeric and dimeric CXCL12 inhibit metastasis through distinct CXCR4 interactions and signaling pathways.
Published in: Proc Natl Acad Sci USA

Ligand: CXCR4 antagonist 22 (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Primary target: no
Median affinity: 6.300000190734863 pIC50
Reference (Journal): Structure-based exploration and pharmacological evaluation of N-substituted piperidin-4-yl-methanamine CXCR4 chemokine receptor antagonists.
Published in: Eur J Med Chem

Ligand: HIV-Tat (Peptide)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Primary target: no
Median affinity:  -

Ligand: isothiourea-1a (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Primary target: no
Median affinity: 7.320000171661377 pIC50
Reference (Journal): Orally bioavailable isothioureas block function of the chemokine receptor CXCR4 in vitro and in vivo.
Published in: J Med Chem

Ligand: isothiourea-1a (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Primary target: no
Median affinity: 7.960000038146973 pEC50
Reference (Journal): Orally bioavailable isothioureas block function of the chemokine receptor CXCR4 in vitro and in vivo.
Published in: J Med Chem

Ligand: isothiourea-1a (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Primary target: no
Median affinity: 7.260000228881836 pIC50
Reference (Journal): Orally bioavailable isothioureas block function of the chemokine receptor CXCR4 in vitro and in vivo.
Published in: J Med Chem

Ligand: isothiourea-1t (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Primary target: no
Median affinity:  pIC50
Reference (Journal): Structure-based exploration and pharmacological evaluation of N-substituted piperidin-4-yl-methanamine CXCR4 chemokine receptor antagonists.
Published in: Eur J Med Chem

Ligand: isothiourea-1t (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Primary target: no
Median affinity:  pIC50
Reference (Journal): Orally bioavailable isothioureas block function of the chemokine receptor CXCR4 in vitro and in vivo.
Published in: J Med Chem

Ligand: isothiourea-1t (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Primary target: no
Median affinity: 7.960000038146973 pIC50
Reference (Journal): Orally bioavailable isothioureas block function of the chemokine receptor CXCR4 in vitro and in vivo.
Published in: J Med Chem

Ligand: isothiourea-1t (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Primary target: no
Median affinity: 9 pEC50
Reference (Journal): Orally bioavailable isothioureas block function of the chemokine receptor CXCR4 in vitro and in vivo.
Published in: J Med Chem

Ligand: mavorixafor (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: yes
Approval source: FDA (2024)
Primary target: no
Median affinity: 7.960000038146973 pKi
Reference (Journal): Comparison of the potential multiple binding modes of bicyclam, monocylam, and noncyclam small-molecule CXC chemokine receptor 4 inhibitors.
Published in: Mol Pharmacol

Ligand: mavorixafor (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: yes
Approval source: FDA (2024)
Primary target: yes
Median affinity: 7.889999866485596 pIC50
Reference (Journal): Discovery of novel small molecule orally bioavailable C-X-C chemokine receptor 4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication.
Published in: J Med Chem

Ligand: motixafortide (Peptide)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: yes
Approval source: FDA (2023)
Primary target: no
Median affinity: 9.039999961853027 pIC50
Reference (Journal): Enhancement of the T140-based pharmacophores leads to the development of more potent and bio-stable CXCR4 antagonists.
Published in: Org Biomol Chem

Ligand: plerixafor (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: yes
Approval source: FDA (2008), EMA (2009)
Primary target: yes
Median affinity: 7 pKi
Reference (Journal): A point mutation that confers constitutive activity to CXCR4 reveals that T140 is an inverse agonist and that AMD3100 and ALX40-4C are weak partial agonists.
Published in: J Biol Chem

Ligand: plerixafor (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: yes
Approval source: FDA (2008), EMA (2009)
Primary target: yes
Median affinity: 6.699999809265137 pKi
Reference (Journal): Structure-based exploration and pharmacological evaluation of N-substituted piperidin-4-yl-methanamine CXCR4 chemokine receptor antagonists.
Published in: Eur J Med Chem

Ligand: plerixafor (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: yes
Approval source: FDA (2008), EMA (2009)
Primary target: yes
Median affinity: 6.190000057220459 pIC50
Reference (Journal): Characterization of the molecular pharmacology of AMD3100: a specific antagonist of the G-protein coupled chemokine receptor, CXCR4.
Published in: Biochem Pharmacol

Ligand: SDF-1, 1-9[P2G] dimer (Peptide)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Median affinity: 5.6 pKi
Reference (Journal): N-terminal peptides of stromal cell-derived factor-1 with CXC chemokine receptor 4 agonist and antagonist activities.
Published in: J Biol Chem

Ligand: SDF1 P2G (Peptide)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Primary target: no
Median affinity: 8.050000190734863 pKd
Reference (Journal): Solution structure and basis for functional activity of stromal cell-derived factor-1; dissociation of CXCR4 activation from binding and inhibition of HIV-1.
Published in: EMBO J

Ligand: [125I]CXCL12α (human) (Peptide)
Interaction type: Agonist
Action: Full agonist
Ligand approved: no
Primary target: no
Median affinity: 7.449999809265137 pKd
Reference (Journal): Comparison of the potential multiple binding modes of bicyclam, monocylam, and noncyclam small-molecule CXC chemokine receptor 4 inhibitors.
Published in: Mol Pharmacol

Ligand: [125I]CXCL12α (human) (Peptide)
Interaction type: Agonist
Action: Full agonist
Ligand approved: no
Median affinity:  pKd
Reference (Journal): The CXCR4 agonist ligand stromal derived factor-1 maintains high affinity for receptors in both Galpha(i)-coupled and uncoupled states.
Published in: Eur J Pharmacol

Ligand: [125I]CXCL12α (human) (Peptide)
Interaction type: Agonist
Action: Full agonist
Ligand approved: no
Median affinity:  pKd
Reference (Journal): Identification and characterization of the CXCR4 chemokine receptor in human T cell lines: ligand binding, biological activity, and HIV-1 infectivity.
Published in: J Immunol

Ligand: [125I]CXCL12β (human) (Peptide)
Interaction type: Agonist
Action: Full agonist
Ligand approved: no
Median affinity: 7.9 pKd
Reference (Journal): Identification and characterization of the CXCR4 chemokine receptor in human T cell lines: ligand binding, biological activity, and HIV-1 infectivity.
Published in: J Immunol

Ligand: T134 (Peptide)
Interaction type: Antagonist
Action: Antagonist
Primary target: no
Median affinity: 8.399999618530273 pIC50
Reference (Journal): A low-molecular-weight inhibitor against the chemokine receptor CXCR4: a strong anti-HIV peptide T140.
Published in: Biochem Biophys Res Commun

Ligand: T140 (Peptide)
Interaction type: Antagonist
Action: Inverse agonist
Ligand approved: no
Median affinity:  pIC50
Reference (Journal): A low-molecular-weight inhibitor against the chemokine receptor CXCR4: a strong anti-HIV peptide T140.
Published in: Biochem Biophys Res Commun

Ligand: T140 (Peptide)
Interaction type: Antagonist
Action: Inverse agonist
Ligand approved: no
Median affinity:  pIC50
Reference (Journal): A point mutation that confers constitutive activity to CXCR4 reveals that T140 is an inverse agonist and that AMD3100 and ALX40-4C are weak partial agonists.
Published in: J Biol Chem

Ligand: T22 (Peptide)
Interaction type: Antagonist
Action: Antagonist
Median affinity: 7.3 pIC50
Reference (Journal): A low-molecular-weight inhibitor against the chemokine receptor CXCR4: a strong anti-HIV peptide T140.
Published in: Biochem Biophys Res Commun

Ligand: TIQ-15 (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Primary target: no
Median affinity: 8.199999809265137 pIC50
Reference (Journal): Discovery of Tetrahydroisoquinoline-Containing CXCR4 Antagonists with Improved in Vitro ADMET Properties.
Published in: J Med Chem

Ligand: ulocuplumab (Antibody)
Interaction type: Antibody
Action: Binding
Ligand approved: no
Primary target: yes
Median affinity: 8.649999618530273 pEC50
Reference (Patent): Human monoclonal antibodies that bind CXCR4

Ligand: vMIP-II (Peptide)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Median affinity: 8.2 pIC50
Reference (Journal): A broad-spectrum chemokine antagonist encoded by Kaposi's sarcoma-associated herpesvirus.
Published in: Science

Ligand: X4-HIV-1 gp120 (Peptide)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Median affinity:  -

Ligand: X4-HIV-1 gp120 (Peptide)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Median affinity:  -