BDBM50400178 2,3‐dihydroxy‐6‐[(4‐ methylphenyl)sulfanyl]anthracene‐9,10‐dione (Ligand 5)::CHEMBL2180318

SMILES Cc1ccc(Sc2ccc3C(=O)c4cc(O)c(O)cc4C(=O)c3c2)cc1

InChI Key InChIKey=HCYYGYJUUDXTAS-UHFFFAOYSA-N

Data  2 KI  1 Kd  1 ITC

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50400178   

TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Dalian University of Technology

Curated by ChEMBL
LigandPNGBDBM50400178(2,3‐dihydroxy‐6‐[(4‐ methy...)
Show SMILES Cc1ccc(Sc2ccc3C(=O)c4cc(O)c(O)cc4C(=O)c3c2)cc1
Show InChI InChI=1S/C21H14O4S/c1-11-2-4-12(5-3-11)26-13-6-7-14-15(8-13)21(25)17-10-19(23)18(22)9-16(17)20(14)24/h2-10,22-23H,1H3
Affinity DataKi:  38nMAssay Description:Binding affinity to Mcl-1 after 30 mins by florescence polarization assayMore data for this Ligand-Target Pair
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
Dalian University of Technology

Curated by ChEMBL
LigandPNGBDBM50400178(2,3‐dihydroxy‐6‐[(4‐ methy...)
Show SMILES Cc1ccc(Sc2ccc3C(=O)c4cc(O)c(O)cc4C(=O)c3c2)cc1
Show InChI InChI=1S/C21H14O4S/c1-11-2-4-12(5-3-11)26-13-6-7-14-15(8-13)21(25)17-10-19(23)18(22)9-16(17)20(14)24/h2-10,22-23H,1H3
Affinity DataKi:  44nMAssay Description:Binding affinity to Bcl-2 after 30 mins by florescence polarization assayMore data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [172-327](Homo sapiens (Human))
Dalian University of Technology

LigandPNGBDBM50400178(2,3‐dihydroxy‐6‐[(4‐ methy...)
Show SMILES Cc1ccc(Sc2ccc3C(=O)c4cc(O)c(O)cc4C(=O)c3c2)cc1
Show InChI InChI=1S/C21H14O4S/c1-11-2-4-12(5-3-11)26-13-6-7-14-15(8-13)21(25)17-10-19(23)18(22)9-16(17)20(14)24/h2-10,22-23H,1H3
Affinity DataKd:  950nMpH: 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

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 50400178   

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

SyringePNGBDBM50400178(2,3‐dihydroxy‐6‐[(4‐ methy...)
ITC DataΔG°: -8.24kcal/mole −TΔS°: -3.42kcal/mole ΔH°: -4.82kcal/mole logk: 1.11E+6
pH: 8.0 T: 25.00°C