BDBM50400179 2,3‐dihydroxy‐6‐(phenylsulfanyl)anthracene‐9,10‐ dione (Ligand 4)::CHEMBL2180319

SMILES Oc1cc2C(=O)c3ccc(Sc4ccccc4)cc3C(=O)c2cc1O

InChI Key InChIKey=JPNPTHYSPUJGKU-UHFFFAOYSA-N

Data  2 KI  1 Kd  1 ITC

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50400179   

TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [172-327](Homo sapiens (Human))
Dalian University Of Technology

LigandPNGBDBM50400179(2,3‐dihydroxy‐6‐(phenylsulfanyl)...)
Affinity DataKd:  1.47E+3nMpH: 8.0 T: 2°CAssay Description:ITC experiments were carried out using iTC200 (Microcal LLC, Northampton, MA, USA) with each of the compounds 1-6 and Mcl-1 protein. The heat of rea...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 50400179   

CellInduced myeloid leukemia cell differentiation protein Mcl-1 (aa 172-327)(Homo sapiens (Human))
Dalian University Of Technology

SyringePNGBDBM50400179(2,3‐dihydroxy‐6‐(phenylsulfanyl)...)
ITC DataΔG°: -8.00kcal/mole −TΔS°: -2.79kcal/mole ΔH°: -5.21kcal/mole logk: 7.40E+5
pH: 8.0 T: 25.00°C 
In DepthDetails ArticlePubMed