BDBM50155334 1-(4-{4-[4-(4-{13-chloro-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene}piperidin-1-yl)butoxy]phenyl}but-3-yn-1-yl)-1-hydroxyurea::CHEMBL360202
SMILES: [#7]-[#6](=O)-[#7](-[#8])-[#6]-[#6]C#Cc1ccc(-[#8]-[#6]-[#6]-[#6]-[#6]-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]-2\c3ccc(Cl)cc3-[#6]-[#6]-c3cccnc-23)cc1
InChI Key: InChIKey=GUUFVYCRQBZPLO-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Histamine H1 receptor (Homo sapiens (Human)) | BDBM50155334![]() (1-(4-{4-[4-(4-{13-chloro-4-azatricyclo[9.4.0.0^{3,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Research Curated by ChEMBL | Assay Description Binding affinity towards human histamine H1 receptor expressed in CHO-K1 cells | Bioorg Med Chem Lett 14: 5591-4 (2004) Article DOI: 10.1016/j.bmcl.2004.08.060 BindingDB Entry DOI: 10.7270/Q28C9VRH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 5-lipoxygenase (Homo sapiens (Human)) | BDBM50155334![]() (1-(4-{4-[4-(4-{13-chloro-4-azatricyclo[9.4.0.0^{3,...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Research Curated by ChEMBL | Assay Description Inhibition of 5-lipooxygenase activity in human whole blood assay | Bioorg Med Chem Lett 14: 5591-4 (2004) Article DOI: 10.1016/j.bmcl.2004.08.060 BindingDB Entry DOI: 10.7270/Q28C9VRH | |||||||||||
More data for this Ligand-Target Pair |