null
SMILES: [H][C@@]12C[C@@H](C[C@]1([H])[C@@H]2C(CC)NC(=O)c1ccc(Cl)cc1)Oc1ccnc2cc(F)ccc12
InChI Key:
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)) | BDBM50578639 (CHEMBL4868112) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 5 mins in presence of NADPH by LCMS/MS analysis | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00679 BindingDB Entry DOI: 10.7270/Q2RJ4P9S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human)) | BDBM50578639 (CHEMBL4868112) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of IDO1 in human HeLa cells using tryptophan as substrate incubated for 24 hrs by RFMS assay | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00679 BindingDB Entry DOI: 10.7270/Q2RJ4P9S | |||||||||||
More data for this Ligand-Target Pair |