BDBM50153597 CHEMBL3775807
SMILES: CC(C)C[C@H]1C[C@H](C1)c1nnc([C@H]2C[C@H](O)C[C@@H]2C(=O)Nc2ccc(C)cc2C)n1C1CC1
InChI Key: InChIKey=SEBPCLRPUYJGQT-HUMDQVGNSA-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)) | BDBM50153597 (CHEMBL3775807) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated with substrate for 5 mins followed by NADPH addition measure... | ACS Med Chem Lett 7: 23-7 (2016) BindingDB Entry DOI: 10.7270/Q2N58P7P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nuclear receptor ROR-gamma (Mus musculus) | BDBM50153597 (CHEMBL3775807) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 38 | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibition of mouse RORgamma ligand binding domain (Isoleucine 251 to Lysine 516) expressed in CHOK1 cells incubated for 2 days by Gal4 luciferase re... | ACS Med Chem Lett 7: 23-7 (2016) BindingDB Entry DOI: 10.7270/Q2N58P7P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nuclear receptor ROR-gamma (Homo sapiens (Human)) | BDBM50153597 (CHEMBL3775807) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 98 | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibition of human RORgamma ligand binding domain (Serine 253 to Lysine 518 residues) expressed in CHOK1 cells incubated for 2 days by Gal4 lucifera... | ACS Med Chem Lett 7: 23-7 (2016) BindingDB Entry DOI: 10.7270/Q2N58P7P | |||||||||||
More data for this Ligand-Target Pair |