BDBM50254893 2-Benzenesulfonyl-N-[4'-((3R,5S)-3,5-dimethyl-piperazin-1-ylmethyl)-biphenyl-2-ylmethyl]-N-methyl-acetamide::CHEMBL465948
SMILES: C[C@H]1CN(Cc2ccc(cc2)-c2ccccc2CN(C)C(=O)CS(=O)(=O)c2ccccc2)C[C@@H](C)N1
InChI Key: InChIKey=OQGNJLWZKFTRPB-ZRZAMGCNSA-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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Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50254893 (2-Benzenesulfonyl-N-[4'-((3R,5S)-3,5-dimethyl-pipe...) | 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 | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of CYP3A4 (unknown origin) using diethoxyfluorescein substrate | Bioorg Med Chem Lett 18: 6429-36 (2008) Article DOI: 10.1016/j.bmcl.2008.10.072 BindingDB Entry DOI: 10.7270/Q2HQ3ZR3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Motilin receptor (Homo sapiens (Human)) | BDBM50254893 (2-Benzenesulfonyl-N-[4'-((3R,5S)-3,5-dimethyl-pipe...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Agonist activity at human recombinant motilin receptor expressed in HEK293 cells by FLIPR assay | Bioorg Med Chem Lett 18: 6429-36 (2008) Article DOI: 10.1016/j.bmcl.2008.10.072 BindingDB Entry DOI: 10.7270/Q2HQ3ZR3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50254893 (2-Benzenesulfonyl-N-[4'-((3R,5S)-3,5-dimethyl-pipe...) | 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 | 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of CYP3A4 (unknown origin) using phenylpiperazinylmethylbenzylresofurin substrate | Bioorg Med Chem Lett 18: 6429-36 (2008) Article DOI: 10.1016/j.bmcl.2008.10.072 BindingDB Entry DOI: 10.7270/Q2HQ3ZR3 | |||||||||||
More data for this Ligand-Target Pair |