BDBM50315303 (S)-N-(2-Pyridinylmethyl)-N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydro-8-quinolinyl)-1,4-benzenedimethanamine::CHEMBL1093137
SMILES: C(NCc1ccccn1)c1ccc(CN(Cc2nc3ccccc3[nH]2)[C@H]2CCCc3cccnc23)cc1
InChI Key: InChIKey=YPTODVXKEJXEET-LJAQVGFWSA-N
Data: 7 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)) | BDBM50315303 ((S)-N-(2-Pyridinylmethyl)-N'-(1H-benzimidazol-2-yl...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp. Curated by ChEMBL | Assay Description Inhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometry | J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 1 (Homo sapiens (Human)) | BDBM50315303 ((S)-N-(2-Pyridinylmethyl)-N'-(1H-benzimidazol-2-yl...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp. Curated by ChEMBL | Assay Description Displacement of radiolabeled MIP1alpha from CCR1 receptor | J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 2 (Homo sapiens (Human)) | BDBM50315303 ((S)-N-(2-Pyridinylmethyl)-N'-(1H-benzimidazol-2-yl...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp. Curated by ChEMBL | Assay Description Displacement of radiolabeled MCP1 from CCR2b receptor | J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-X-C chemokine receptor type 2 (Homo sapiens (Human)) | BDBM50315303 ((S)-N-(2-Pyridinylmethyl)-N'-(1H-benzimidazol-2-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp. Curated by ChEMBL | Assay Description Displacement of radiolabeled IL8 from CXCR2 receptor | J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 5 (Homo sapiens (Human)) | BDBM50315303 ((S)-N-(2-Pyridinylmethyl)-N'-(1H-benzimidazol-2-yl...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp. Curated by ChEMBL | Assay Description Displacement of radiolabeled MIP1beta from CCR5 receptor | J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-X-C chemokine receptor type 1 (Homo sapiens (Human)) | BDBM50315303 ((S)-N-(2-Pyridinylmethyl)-N'-(1H-benzimidazol-2-yl...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp. Curated by ChEMBL | Assay Description Displacement of radiolabeled IL8 from CXCR1 receptor | J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 4 (CCR4) (Homo sapiens (Human)) | BDBM50315303 ((S)-N-(2-Pyridinylmethyl)-N'-(1H-benzimidazol-2-yl...) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp. Curated by ChEMBL | Assay Description Displacement of radiolabeled TARC from CCR4 receptor | J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9 | |||||||||||
More data for this Ligand-Target Pair |