BDBM50209979 1-((3R,4R)-3-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-1-(cyanomethyl)piperidin-4-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea::CHEMBL250437
SMILES: CC(=O)c1sc(NC(=O)N[C@@H]2CCN(CC#N)C[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C
InChI Key: InChIKey=JIVLHFRCJCETBI-WPFOTENUSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50209979 (1-((3R,4R)-3-(((S)-3-(4-fluorobenzyl)piperidin-1-y...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP2D6 | Bioorg Med Chem Lett 17: 2992-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.065 BindingDB Entry DOI: 10.7270/Q2V987SQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 3 (Homo sapiens (Human)) | BDBM50209979 (1-((3R,4R)-3-(((S)-3-(4-fluorobenzyl)piperidin-1-y...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Displacement of [125I]eotaxin from human CCR3 expressed in CHO cells after 30 mins | Bioorg Med Chem Lett 17: 2992-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.065 BindingDB Entry DOI: 10.7270/Q2V987SQ | |||||||||||
More data for this Ligand-Target Pair |