BDBM50166852 CHEMBL3797717
SMILES: CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C(F)(F)F
InChI Key: InChIKey=RYBRXOLQVVUVSC-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
5-hydroxytryptamine receptor 6 (Homo sapiens (Human)) | BDBM50166852 (CHEMBL3797717) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A. Curated by ChEMBL | Assay Description Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method | Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50166852 (CHEMBL3797717) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 367 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A. Curated by ChEMBL | Assay Description Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method | Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50166852 (CHEMBL3797717) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A. Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP2D6 using AMMC as substrate incubated for 45 mins by fluorescence analysis in presence of NADPH | Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae) | BDBM50166852 (CHEMBL3797717) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A. Curated by ChEMBL | Assay Description Inhibition of human ERG1 expressed in CHO cells by whole cell patch clamp electrophysiology method | Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50166852 (CHEMBL3797717) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A. Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP3A4 using 7-benzyloxy-trifluoromethylcoumarin as substrate incubated for 30 mins by fluorescence analysis in prese... | Bioorg Med Chem Lett 26: 2610-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.024 BindingDB Entry DOI: 10.7270/Q2VM4F48 | |||||||||||
More data for this Ligand-Target Pair |