null
SMILES: CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N(C)CCN(C)C)nc2[nH]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)) | BDBM50582076 (CHEMBL5079606) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of CYP3A4 in human liver microsomes using ketoconazole as substrate incubated for 5 mins in presence of NADPH by LC-MS/MS analysis | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual specificity protein kinase TTK (Homo sapiens (Human)) | BDBM50582076 (CHEMBL5079606) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00635 BindingDB Entry DOI: 10.7270/Q25T3QC6 | |||||||||||
More data for this Ligand-Target Pair |