BDBM203870 7-(3-((3-Acetyl-4-boronophenoxy)methyl)-1,5-dimethyl-1H-pyrazol-4-yl)-3-(3-(naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acid, 6::Mcl-1 inhibitor 6
SMILES: CC(=O)c1cc(OCc2nn(C)c(C)c2-c2cccc3c(CCCOc4cccc5ccccc45)c([nH]c23)C(O)=O)ccc1B(O)O
InChI Key: InChIKey=CMIVVWPEKAPWSX-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Induced myeloid leukemia cell differentiation protein Mcl-1(171-327) (Homo sapiens (Human)) | BDBM203870 (7-(3-((3-Acetyl-4-boronophenoxy)methyl)-1,5-dimeth...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 1.20 | -12.1 | 4.70 | n/a | n/a | n/a | n/a | 7.4 | 24 |
Oncology Innovative Medicines Unit | Assay Description TR-FRET assay was used to assess the ability of compounds to disrupt the interaction between recombinant human Mcl-1 and a labeled BIM peptide probe.... | Nat Chem Biol 12: 931-936 (2016) Article DOI: 10.1038/nchembio.2174 BindingDB Entry DOI: 10.7270/Q2FN1513 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human)) | BDBM203870 (7-(3-((3-Acetyl-4-boronophenoxy)methyl)-1,5-dimeth...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc Curated by ChEMBL | Assay Description Inhibition of FAM labelled Bid-BH3 binding to N-terminal GST-tagged human recombinant MCL1 expressed in Escherichia coli BL2(DE3) after 60 mins by TR... | Eur J Med Chem 146: 471-482 (2018) Article DOI: 10.1016/j.ejmech.2018.01.076 BindingDB Entry DOI: 10.7270/Q2ZG6VS2 | |||||||||||
More data for this Ligand-Target Pair |