null
SMILES: CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)N2CCS(=O)(=O)CC2)no1
InChI Key: InChIKey=POZVWZHXRTXSAY-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50340991 (4-(1,1-Dioxo-1lambda*6*-thiomorpholine-4-carbonyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of CYP2C9 using flourescent probe 7-methoxy-4-trifluoromethylcoumarin | Bioorg Med Chem Lett 21: 2011-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.017 BindingDB Entry DOI: 10.7270/Q2KK9C2M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50340991 (4-(1,1-Dioxo-1lambda*6*-thiomorpholine-4-carbonyl)...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of CYP2D6 flourescent probe 3-[2-(N,N-diethyl-N-methylamino)ethyl]-7-methoxy-4-methylcoumarin | Bioorg Med Chem Lett 21: 2011-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.017 BindingDB Entry DOI: 10.7270/Q2KK9C2M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM50340991 (4-(1,1-Dioxo-1lambda*6*-thiomorpholine-4-carbonyl)...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL | Assay Description Agonist activity at human CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production | Bioorg Med Chem Lett 21: 2011-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.017 BindingDB Entry DOI: 10.7270/Q2KK9C2M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM50340991 (4-(1,1-Dioxo-1lambda*6*-thiomorpholine-4-carbonyl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 135 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL | Assay Description Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production | Bioorg Med Chem Lett 21: 2011-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.017 BindingDB Entry DOI: 10.7270/Q2KK9C2M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50340991 (4-(1,1-Dioxo-1lambda*6*-thiomorpholine-4-carbonyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of CYP3A4 using flourescent probe 7-benzyloxyquinoline and 7-benzyloxy-4-(trifluoromethyl)-coumarin) | Bioorg Med Chem Lett 21: 2011-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.017 BindingDB Entry DOI: 10.7270/Q2KK9C2M | |||||||||||
More data for this Ligand-Target Pair |