BDBM50558853 CHEMBL4465826

SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O

InChI Key InChIKey=DGGAFLMUGXDMNX-NHRYRXKOSA-N

Data  2 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50558853   

TargetBcl-2-like protein 1(Homo sapiens (Human))TBA
LigandPNGBDBM50558853(CHEMBL4465826)
Affinity DataKi:  0.0800nMAssay Description:Binding affinity to recombinant His-tagged human Bcl-xL expressed in Escherichia coli assessed as inhibition constant by SPR analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))TBA
LigandPNGBDBM50558853(CHEMBL4465826)
Affinity DataKi:  17nMAssay Description:Binding affinity to recombinant His-tagged human Bcl-2 expressed in Escherichia coli assessed as inhibition constant by SPR analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
The University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50558853(CHEMBL4465826)
Affinity DataIC50:  55nMAssay Description:Binding affinity to human Mcl1 incubated for 2 hrs by FBid based competitive FP assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBcl-2-related protein A1(Homo sapiens (Human))
The University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50558853(CHEMBL4465826)
Affinity DataIC50:  31nMAssay Description:Binding affinity to human Bcl2A1 incubated for 2 hrs by FBid based competitive FP assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed