BDBM50363984 CHEMBL1949730
SMILES: [#6]-[#7]-1-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#6]-1=O
InChI Key: InChIKey=FZOZRYUHOMFSGD-VZNYXHRGSA-N
Data: 3 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
C-X-C chemokine receptor type 4 (CXCR4) (Homo sapiens (Human)) | BDBM50363984 (CHEMBL1949730) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen Curated by ChEMBL | Assay Description Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting | J Med Chem 54: 7648-62 (2011) Article DOI: 10.1021/jm2009716 BindingDB Entry DOI: 10.7270/Q23T9HQV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-X-C chemokine receptor type 4 (CXCR4) (Homo sapiens (Human)) | BDBM50363984 (CHEMBL1949730) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting | ACS Med Chem Lett 2: 477-480 (2011) Article DOI: 10.1021/ml200047e BindingDB Entry DOI: 10.7270/Q2D21ZNH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-X-C chemokine receptor type 4 (CXCR4) (Homo sapiens (Human)) | BDBM50363984 (CHEMBL1949730) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University Curated by ChEMBL | Assay Description Displacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hr | J Med Chem 55: 2746-57 (2012) Article DOI: 10.1021/jm2016914 BindingDB Entry DOI: 10.7270/Q2FJ2HTW | |||||||||||
More data for this Ligand-Target Pair |