BDBM50148158 CHEMBL3764017
SMILES: CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)C1(CCC1)c1cccc(c1)-c1cc(Cl)cc(Cl)c1
InChI Key: InChIKey=LWYHAUSQQMAJRN-UHFFFAOYSA-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 |
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Sn1-specific diacylglycerol lipase beta (Homo sapiens (Human)) | BDBM50148158 (CHEMBL3764017) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co. Curated by ChEMBL | Assay Description Inhibition of DAGLbeta (unknown origin) | Bioorg Med Chem 24: 1455-68 (2016) BindingDB Entry DOI: 10.7270/Q2RJ4MBD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sn1-specific diacylglycerol lipase alpha (Homo sapiens (Human)) | BDBM50148158 (CHEMBL3764017) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co. Curated by ChEMBL | Assay Description Inhibition of full length human C-terminal HA-tagged DAGLalpha expressed in HEK293 cell membrane using DAG as substrate incubated for 20 mins by LC-M... | Bioorg Med Chem 24: 1455-68 (2016) BindingDB Entry DOI: 10.7270/Q2RJ4MBD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50148158 (CHEMBL3764017) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co. Curated by ChEMBL | Assay Description Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate incubated for 5 mins by LC-MS analysis | Bioorg Med Chem 24: 1455-68 (2016) BindingDB Entry DOI: 10.7270/Q2RJ4MBD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50148158 (CHEMBL3764017) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co. Curated by ChEMBL | Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 7 mins by LC-MS analysis | Bioorg Med Chem 24: 1455-68 (2016) BindingDB Entry DOI: 10.7270/Q2RJ4MBD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50148158 (CHEMBL3764017) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co. Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 5 mins by LC-MS analysis | Bioorg Med Chem 24: 1455-68 (2016) BindingDB Entry DOI: 10.7270/Q2RJ4MBD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sn1-specific diacylglycerol lipase alpha (Homo sapiens (Human)) | BDBM50148158 (CHEMBL3764017) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co. Curated by ChEMBL | Assay Description Inhibition of full length human C-terminal HA-tagged DAGLalpha expressed in HEK293 cells using DAG as substrate assessed as reduction in intracellula... | Bioorg Med Chem 24: 1455-68 (2016) BindingDB Entry DOI: 10.7270/Q2RJ4MBD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50148158 (CHEMBL3764017) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co. Curated by ChEMBL | Assay Description Inhibition of human ERG expressed in HEK293 cells by thallium flux assay | Bioorg Med Chem 24: 1455-68 (2016) BindingDB Entry DOI: 10.7270/Q2RJ4MBD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50148158 (CHEMBL3764017) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co. Curated by ChEMBL | Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 10 mins by LC-MS analysis | Bioorg Med Chem 24: 1455-68 (2016) BindingDB Entry DOI: 10.7270/Q2RJ4MBD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pregnane X receptor (Homo sapiens (Human)) | BDBM50148158 (CHEMBL3764017) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co. Curated by ChEMBL | Assay Description Transactivation of human PXR expressed in human HepG2 cells after 15 mins by luciferase reporter gene assay | Bioorg Med Chem 24: 1455-68 (2016) BindingDB Entry DOI: 10.7270/Q2RJ4MBD | |||||||||||
More data for this Ligand-Target Pair |