BDBM50254447 1-(4-tert-butylthiazol-2-yl)-3 -(6-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-3,5-dimethyl-2-oxo-1,3-oxazinan-5-yl)urea::1-(4-tert-butylthiazol-2-yl)-3-(6-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-3,5-dimethyl-2-oxo-1,3-oxazinan-5-yl)urea::CHEMBL468695
SMILES: CN1CC(C)(NC(=O)Nc2nc(cs2)C(C)(C)C)C(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O
InChI Key: InChIKey=UKCCRJLNYAYHBT-JIUXCQJLSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
C-C chemokine receptor type 3 (Homo sapiens (Human)) | BDBM50254447 (1-(4-tert-butylthiazol-2-yl)-3 -(6-(((S)-3-(4-fluo...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Binding affinity to CCR3 receptor (unknown origin) | Bioorg Med Chem Lett 19: 96-9 (2008) Article DOI: 10.1016/j.bmcl.2008.11.002 BindingDB Entry DOI: 10.7270/Q2MG7PCW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50254447 (1-(4-tert-butylthiazol-2-yl)-3 -(6-(((S)-3-(4-fluo...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Inhibition of CYP2D6 (unknown origin) | Bioorg Med Chem Lett 19: 96-9 (2008) Article DOI: 10.1016/j.bmcl.2008.11.002 BindingDB Entry DOI: 10.7270/Q2MG7PCW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 3 (Homo sapiens (Human)) | BDBM50254447 (1-(4-tert-butylthiazol-2-yl)-3 -(6-(((S)-3-(4-fluo...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Binding affinity to CCR3 receptor (unknown origin) | Bioorg Med Chem Lett 19: 96-9 (2008) Article DOI: 10.1016/j.bmcl.2008.11.002 BindingDB Entry DOI: 10.7270/Q2MG7PCW | |||||||||||
More data for this Ligand-Target Pair |