null
SMILES: Cc1noc(C)c1-c1ccc(cc1)-c1nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(-c2ccc(Cl)cc2)c1C
InChI Key: InChIKey=MODVORZURPOLGV-NDEPHWFRSA-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 3A4 (Homo sapiens (Human)) | BDBM50021261 (CHEMBL3287925) | 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 | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Curated by ChEMBL | Assay Description Inhibition of CYP3A4 (unknown origin) | ACS Med Chem Lett 5: 711-6 (2014) Article DOI: 10.1021/ml500110j BindingDB Entry DOI: 10.7270/Q2PG1T8J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50021261 (CHEMBL3287925) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Curated by ChEMBL | Assay Description Apparent binding affinity to Trx-His-tagged HIV integrase | ACS Med Chem Lett 5: 711-6 (2014) Article DOI: 10.1021/ml500110j BindingDB Entry DOI: 10.7270/Q2PG1T8J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50021261 (CHEMBL3287925) | 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 (Canada) Curated by ChEMBL | Assay Description Inhibition of CYP2D6 (unknown origin) | ACS Med Chem Lett 5: 711-6 (2014) Article DOI: 10.1021/ml500110j BindingDB Entry DOI: 10.7270/Q2PG1T8J | |||||||||||
More data for this Ligand-Target Pair |