BDBM50144627 CHEMBL74688::[4-((2R,5R)-5-{4-[(R)-(4-Chloro-phenyl)-phenyl-methyl]-piperazin-1-ylmethyl}-tetrahydro-furan-2-yl)-but-3-ynyl]-N-hydroxyurea
SMILES: NC(=O)N(O)CCC#C[C@H]1CC[C@H](CN2CCN(CC2)[C@H](c2ccccc2)c2ccc(Cl)cc2)O1
InChI Key: InChIKey=ZBUWQTCXTJMDCD-JIMJEQGWSA-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)) | BDBM50144627 (CHEMBL74688 | [4-((2R,5R)-5-{4-[(R)-(4-Chloro-phen...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Research Curated by ChEMBL | Assay Description In vitro binding affinity towards histamine H1 receptor expressed in CHO-K1 cells | Bioorg Med Chem Lett 14: 2265-8 (2004) Article DOI: 10.1016/j.bmcl.2004.02.005 BindingDB Entry DOI: 10.7270/Q2BV7G2P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 5-lipoxygenase (Homo sapiens (Human)) | BDBM50144627 (CHEMBL74688 | [4-((2R,5R)-5-{4-[(R)-(4-Chloro-phen...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Research Curated by ChEMBL | Assay Description In vitro inhibitory activity against 5-lipoxygenase in a human whole blood assay | Bioorg Med Chem Lett 14: 2265-8 (2004) Article DOI: 10.1016/j.bmcl.2004.02.005 BindingDB Entry DOI: 10.7270/Q2BV7G2P | |||||||||||
More data for this Ligand-Target Pair |