BDBM50227874 3-{4-[3-(3-fluoro-5-trifluoromethyl-phenyl)-ureido]-piperidin-1-ylmethyl}-8-aza-bicyclo[3.2.1]oct-2-ene-8-carboxylic acid ethyl ester::CHEMBL253928
SMILES: CCOC(=O)N1C2CCC1C=C(CN1CCC(CC1)NC(=O)Nc1cc(F)cc(c1)C(F)(F)F)C2
InChI Key: InChIKey=VJFABTBDUNBUDS-UHFFFAOYSA-N
Data: 2 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
chemokine (C-X-C motif) receptor 3 (Homo sapiens (Human)) | BDBM50227874 (3-{4-[3-(3-fluoro-5-trifluoromethyl-phenyl)-ureido...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Inflammation Discovery Curated by ChEMBL | Assay Description Antagonist activity at human CXCR3 by [35S]GTPgammaS binding assay | Bioorg Med Chem Lett 18: 147-51 (2008) Article DOI: 10.1016/j.bmcl.2007.10.109 BindingDB Entry DOI: 10.7270/Q2MC8ZRG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-X-C chemokine receptor type 3 (Mus musculus) | BDBM50227874 (3-{4-[3-(3-fluoro-5-trifluoromethyl-phenyl)-ureido...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Inflammation Discovery Curated by ChEMBL | Assay Description Antagonist activity at mouse CXCR3 | Bioorg Med Chem Lett 18: 147-51 (2008) Article DOI: 10.1016/j.bmcl.2007.10.109 BindingDB Entry DOI: 10.7270/Q2MC8ZRG | |||||||||||
More data for this Ligand-Target Pair |