BDBM50315293 CHEMBL1089846::N1-(1H-Benzo[d]imidazol-2-ylmethyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)but-2-yne-1,4-diamine
SMILES: NCC#CCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12
InChI Key: InChIKey=ZQXRSZGLCHGNLB-UHFFFAOYSA-N
Data: 1 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 |
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C-X-C chemokine receptor type 4 (CXCR4) (Homo sapiens (Human)) | BDBM50315293 (CHEMBL1089846 | N1-(1H-Benzo[d]imidazol-2-ylmethyl...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 973 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp. Curated by ChEMBL | Assay Description Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux | 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 |