BDBM50400183 Purpuro (Ligand 1)::XANTHOPURPURIN

SMILES Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1

InChI Key InChIKey=WPWWKBNOXTZDQJ-UHFFFAOYSA-N

Data  2 KI  1 Kd  1 ITC

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50400183   

TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
Dalian University of Technology

Curated by ChEMBL
LigandPNGBDBM50400183(Purpuro (Ligand 1) | XANTHOPURPURIN)
Show SMILES Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1
Show InChI InChI=1S/C14H8O4/c15-7-5-10-12(11(16)6-7)14(18)9-4-2-1-3-8(9)13(10)17/h1-6,15-16H
Affinity DataKi:  1.70E+3nMAssay 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(Homo sapiens (Human))
Dalian University of Technology

Curated by ChEMBL
LigandPNGBDBM50400183(Purpuro (Ligand 1) | XANTHOPURPURIN)
Show SMILES Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1
Show InChI InChI=1S/C14H8O4/c15-7-5-10-12(11(16)6-7)14(18)9-4-2-1-3-8(9)13(10)17/h1-6,15-16H
Affinity DataKi:  2.27E+3nMAssay Description:Binding affinity to Mcl-1 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

LigandPNGBDBM50400183(Purpuro (Ligand 1) | XANTHOPURPURIN)
Show SMILES Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1
Show InChI InChI=1S/C14H8O4/c15-7-5-10-12(11(16)6-7)14(18)9-4-2-1-3-8(9)13(10)17/h1-6,15-16H
Affinity DataKd:  1.35E+6nMpH: 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 = 50400183   

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

SyringePNGBDBM50400183(Purpuro (Ligand 1) | XANTHOPURPURIN)
ITC DataΔG°: -3.94kcal/mole −TΔS°: -2.49kcal/mole ΔH°: -1.45kcal/mole logk: 778
pH: 8.0 T: 25.00°C