BDBM50198392 1-(3,5-bis(trifluoromethyl)phenyl)-3-(1-(((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl)piperidin-4-yl)urea::CHEMBL439399
SMILES: CC1(C)[C@@H]2C[C@H]1C(CN1CCC(CC1)NC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)=CC2
InChI Key: InChIKey=YBMDKMCHOKBOLB-YWZLYKJASA-N
Data: 4 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)) | BDBM50198392 (1-(3,5-bis(trifluoromethyl)phenyl)-3-(1-(((1R,5S)-...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 26 | 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 | |||||||||||||
chemokine (C-X-C motif) receptor 3 (Homo sapiens (Human)) | BDBM50198392 (1-(3,5-bis(trifluoromethyl)phenyl)-3-(1-(((1R,5S)-...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Curated by ChEMBL | Assay Description Antagonist activity at human CXCR3 expressed in CHO cells by [35S]GTPgammaS binding assay | Bioorg Med Chem Lett 17: 697-701 (2007) Article DOI: 10.1016/j.bmcl.2006.10.088 BindingDB Entry DOI: 10.7270/Q2833RPB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-X-C chemokine receptor type 3 (Mus musculus) | BDBM50198392 (1-(3,5-bis(trifluoromethyl)phenyl)-3-(1-(((1R,5S)-...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 400 | 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 | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50198392 (1-(3,5-bis(trifluoromethyl)phenyl)-3-(1-(((1R,5S)-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Inflammation Discovery Curated by ChEMBL | Assay Description Inhibition of CYP2D6 | 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 |