BDBM50448458 CHEMBL3126113
SMILES: OC(=O)c1nn2c(cccc2c1CCCOc1cccc2ccccc12)-c1ccc(cc1)C(O)=O
InChI Key: InChIKey=ONFKCHIVKBXORY-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 |
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Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human)) | BDBM50448458 (CHEMBL3126113) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited Curated by ChEMBL | Assay Description Displacement of FITC-Bid from GST-tagged human Mcl-1 expressed in Escherichia coli after 2 hrs by TR-FRET assay | J Med Chem 56: 9635-45 (2014) Article DOI: 10.1021/jm401170c BindingDB Entry DOI: 10.7270/Q2MS3V86 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |