BDBM50336914 3-[(21S,22S)-16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.1^{5,8}.1^{10,13}.1^{15,18}.0^{2,6}]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaen-22-yl]-N-(6-{[1-(2-iodophenyl)isoquinolin-3-yl]formamido}hexyl)propanamide::CHEMBL1672413
SMILES: CCc1c(C)c2cc3[nH]c(cc4[nH]c(c(CCC(=O)NCCCCCCNC(=O)c5cc6ccccc6c(n5)-c5ccccc5I)c4C)c4cc(O)c5c(C)c(cc1[nH]2)[nH]c45)c(C)c3C=C
InChI Key: InChIKey=MKFYYJFWKGZMFJ-CHMUXMOUSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Translocator protein (Homo sapiens (Human)) | BDBM50336914 (3-[(21S,22S)-16-ethenyl-11-ethyl-12,17,21,26-tetra...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity to PBR | ACS Med Chem Lett 2: 136-141 (2011) Article DOI: 10.1021/ml100211g BindingDB Entry DOI: 10.7270/Q2F76DJG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Translocator protein (Homo sapiens (Human)) | BDBM50336914 (3-[(21S,22S)-16-ethenyl-11-ethyl-12,17,21,26-tetra...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Displacement of [3H]-PK11195 from PBR after 1 hr by scintillation counting | ACS Med Chem Lett 2: 136-141 (2011) Article DOI: 10.1021/ml100211g BindingDB Entry DOI: 10.7270/Q2F76DJG | |||||||||||
More data for this Ligand-Target Pair |