BindingDB

null

SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1

InChI Key InChIKey=YIQPUIGJQJDJOS-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50035696

C-X-C chemokine receptor type 4(Homo sapiens (Human))
AnorMED Inc.

Curated by ChEMBL

BDBM50035696(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)copy SMILEScopy InChI

IC50: 7nMAssay Description:Inhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymp...More data for this Ligand-Target Pair

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Details
BindingDB Entry DOI: 10.7270/Q2K0750MPubMed

Targets 8 ▿
- C-X-C chemokine receptor type 4 41
- C-C chemokine receptor type 2 2
- ATP-binding cassette sub-family C member 3 1
- ATP-binding cassette sub-family C member 4 1
- Stromal cell-derived factor 1 1
- ATP-binding cassette sub-family C member 2 1
- Atypical chemokine receptor 3 1
- Bile salt export pump 1
Publications 22 ▿
- J Med Chem 55: 10405-13 (2012) 5
- Toxicol Sci 136: 216-41 (2013) 4
- J Biol Chem 282: 30062-9 (2007) 3
- Eur J Med Chem 172: 174-185 (2019) 2
- J Biol Chem 282: 27354-65 (2007) 2
- J Med Chem 51: 7915-20 (2008) 2
- Bioorg Med Chem 17: 1486-93 (2009) 2
- Eur J Med Chem 149: 30-44 (2018) 2
- J Med Chem 54: 1961-2004 (2011) 1
- US Patent US9205085 (2015) 1
- Eur J Med Chem 162: 631-649 (2019) 1
- J Med Chem 55: 9363-92 (2012) 1
- Bioorg Med Chem 24: 5393-5399 (2016) 1
- J Med Chem 59: 8369-80 (2016) 1
- J Med Chem 55: 7560-70 (2012) 1
- ACS Med Chem Lett 4: 1025-30 (2013) 1
- J Med Chem 60: 9641-9652 (2017) 1
- J Med Chem 61: 818-833 (2018) 1
- Antimicrob Agents Chemother 53: 2940-8 (2009) 1
- Eur J Med Chem 139: 519-530 (2017) 1
- J Med Chem 53: 8556-68 (2010) 1
- J Med Chem 42: 3971-81 (1999) 1
Institutions 20 ▿
- [University of Osnabr£ck] 5
- [Amgen Inc] 4
- [Emory University, Université Libre de Bruxelles] 3
- [Emory University, Université Libre de Bruxelles] 3
- [University of California San Diego, Soochow University, University of Copenhagen, Novartis Institutes for BioMedical Research, National Institute of Biomedical Imaging and Bioengineering] 2
- [University of California San Diego, Soochow University, University of Copenhagen, Novartis Institutes for BioMedical Research, National Institute of Biomedical Imaging and Bioengineering] 2
- [University of California San Diego, Soochow University, University of Copenhagen, Novartis Institutes for BioMedical Research, National Institute of Biomedical Imaging and Bioengineering] 2
- [University of California San Diego, Soochow University, University of Copenhagen, Novartis Institutes for BioMedical Research, National Institute of Biomedical Imaging and Bioengineering] 2
- [University of California San Diego, Soochow University, University of Copenhagen, Novartis Institutes for BioMedical Research, National Institute of Biomedical Imaging and Bioengineering] 2
- [Universitat Ramon Llull, Upstate Medical University, National Health Research Institutes, Griffin Discoveries BV, National Heart and Lung Institute, Second University of Naples, University of Calabria, Universite£ de Sherbrooke, AnorMED Inc., National Institute of Infectious Diseases, University of Campania] 1
- [Universitat Ramon Llull, Upstate Medical University, National Health Research Institutes, Griffin Discoveries BV, National Heart and Lung Institute, Second University of Naples, University of Calabria, Universite£ de Sherbrooke, AnorMED Inc., National Institute of Infectious Diseases, University of Campania] 1
- [Universitat Ramon Llull, Upstate Medical University, National Health Research Institutes, Griffin Discoveries BV, National Heart and Lung Institute, Second University of Naples, University of Calabria, Universite£ de Sherbrooke, AnorMED Inc., National Institute of Infectious Diseases, University of Campania] 1
- [Universitat Ramon Llull, Upstate Medical University, National Health Research Institutes, Griffin Discoveries BV, National Heart and Lung Institute, Second University of Naples, University of Calabria, Universite£ de Sherbrooke, AnorMED Inc., National Institute of Infectious Diseases, University of Campania] 1
- [Universitat Ramon Llull, Upstate Medical University, National Health Research Institutes, Griffin Discoveries BV, National Heart and Lung Institute, Second University of Naples, University of Calabria, Universite£ de Sherbrooke, AnorMED Inc., National Institute of Infectious Diseases, University of Campania] 1
- [Universitat Ramon Llull, Upstate Medical University, National Health Research Institutes, Griffin Discoveries BV, National Heart and Lung Institute, Second University of Naples, University of Calabria, Universite£ de Sherbrooke, AnorMED Inc., National Institute of Infectious Diseases, University of Campania] 1
- [Universitat Ramon Llull, Upstate Medical University, National Health Research Institutes, Griffin Discoveries BV, National Heart and Lung Institute, Second University of Naples, University of Calabria, Universite£ de Sherbrooke, AnorMED Inc., National Institute of Infectious Diseases, University of Campania] 1
- [Universitat Ramon Llull, Upstate Medical University, National Health Research Institutes, Griffin Discoveries BV, National Heart and Lung Institute, Second University of Naples, University of Calabria, Universite£ de Sherbrooke, AnorMED Inc., National Institute of Infectious Diseases, University of Campania] 1
- [Universitat Ramon Llull, Upstate Medical University, National Health Research Institutes, Griffin Discoveries BV, National Heart and Lung Institute, Second University of Naples, University of Calabria, Universite£ de Sherbrooke, AnorMED Inc., National Institute of Infectious Diseases, University of Campania] 1
- [Universitat Ramon Llull, Upstate Medical University, National Health Research Institutes, Griffin Discoveries BV, National Heart and Lung Institute, Second University of Naples, University of Calabria, Universite£ de Sherbrooke, AnorMED Inc., National Institute of Infectious Diseases, University of Campania] 1
- [Universitat Ramon Llull, Upstate Medical University, National Health Research Institutes, Griffin Discoveries BV, National Heart and Lung Institute, Second University of Naples, University of Calabria, Universite£ de Sherbrooke, AnorMED Inc., National Institute of Infectious Diseases, University of Campania] 1
Affinity: 0.040 to 1.4E+5 nM▿
- Ki 2
- IC50 46
- EC50 1
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 0
Catalog Cmpds: 1