BDBM50107789 (R)-methyl 5-(6-methyl-4'-(trifluoromethyl)biphenyl-2-ylcarboxamido)-2,3-dihydro-1H-inden-2-ylcarbamate::CHEMBL423915::{5-[(6-Methyl-4'-trifluoromethyl-biphenyl-2-carbonyl)-amino]-indan-2-yl}-carbamic acid methyl ester
SMILES: COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1
InChI Key: InChIKey=JKHYOWBRQRJSTQ-OAQYLSRUSA-N
Data: 5 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Microsomal triglyceride transfer protein (Homo sapiens (Human)) | BDBM50107789 ((R)-methyl 5-(6-methyl-4'-(trifluoromethyl)bipheny...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Reasearch Curated by ChEMBL | Assay Description In vitro inhibitory activity against MTP using MTP transfer assay | J Med Chem 44: 4677-87 (2001) BindingDB Entry DOI: 10.7270/Q23F4NXH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Apolipoprotein B-100 (Homo sapiens (Human)) | BDBM50107789 ((R)-methyl 5-(6-methyl-4'-(trifluoromethyl)bipheny...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Reasearch Curated by ChEMBL | Assay Description Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM | J Med Chem 44: 4677-87 (2001) BindingDB Entry DOI: 10.7270/Q23F4NXH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G-protein- coupled-like receptor Smoothened (Smo) (Homo sapiens (Human)) | BDBM50107789 ((R)-methyl 5-(6-methyl-4'-(trifluoromethyl)bipheny...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay | Bioorg Med Chem Lett 19: 328-31 (2008) Article DOI: 10.1016/j.bmcl.2008.11.096 BindingDB Entry DOI: 10.7270/Q29887ZN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Smoothened homolog (Mus musculus) | BDBM50107789 ((R)-methyl 5-(6-methyl-4'-(trifluoromethyl)bipheny...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay | Bioorg Med Chem Lett 19: 328-31 (2008) Article DOI: 10.1016/j.bmcl.2008.11.096 BindingDB Entry DOI: 10.7270/Q29887ZN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Microsomal triglyceride transfer protein (Homo sapiens (Human)) | BDBM50107789 ((R)-methyl 5-(6-methyl-4'-(trifluoromethyl)bipheny...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Inhibition of MTP in human HepG2 cells assessed as apolipoprotein B production by ELISA | Bioorg Med Chem Lett 19: 328-31 (2008) Article DOI: 10.1016/j.bmcl.2008.11.096 BindingDB Entry DOI: 10.7270/Q29887ZN | |||||||||||
More data for this Ligand-Target Pair |