BDBM50197784 1-[(E)-({5-bromo-2-[(2-methoxy-5-nitrophenyl)methoxy]phenyl}methylidene)amino]guanidine::CHEMBL238549
SMILES: [#6]-[#8]-c1ccc(cc1-[#6]-[#8]-c1ccc(Br)cc1-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])-[#7+](-[#8-])=O
InChI Key: InChIKey=JKNUTYSKDFLYQX-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CCR5/mu opioid receptor complex (Homo sapiens (Human)) | BDBM50197784 (1-[(E)-({5-bromo-2-[(2-methoxy-5-nitrophenyl)metho...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 8.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor | Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 5 (Homo sapiens (Human)) | BDBM50197784 (1-[(E)-({5-bromo-2-[(2-methoxy-5-nitrophenyl)metho...) | 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 | 8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences Curated by ChEMBL | Assay Description Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells | Bioorg Med Chem Lett 17: 231-4 (2006) Article DOI: 10.1016/j.bmcl.2006.09.052 BindingDB Entry DOI: 10.7270/Q2FQ9W8N | |||||||||||
More data for this Ligand-Target Pair |