BDBM473868 4-(N-benzyl-4-(4- chloro-3,5- dimethylphenoxy) phenyl- sulfonamido)-2- hydroxybenzoic acid::US10858316, Compound LC-4-118

SMILES Cc1cc(Oc2ccc(cc2)S(=O)(=O)N(Cc2ccccc2)c2ccc(C(O)=O)c(O)c2)cc(C)c1Cl

InChI Key InChIKey=MHWCKPSUVMUWFL-UHFFFAOYSA-N

Data  7 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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 7 hits for monomerid = 473868   

LigandPNGBDBM473868(4-(N-benzyl-4-(4- chloro-3,5- dimethylphenoxy) phe...)
Affinity DataKi:  629nMAssay Description:Inhibition of FITC-labelled BAK BH3 peptide to 6His-MBP tagged recombinant human MCL-1 (172 to 327 residues) expressed in Escherichia coli assessed a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
LigandPNGBDBM473868(4-(N-benzyl-4-(4- chloro-3,5- dimethylphenoxy) phe...)
Affinity DataKi:  629nMAssay Description:Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
LigandPNGBDBM473868(4-(N-benzyl-4-(4- chloro-3,5- dimethylphenoxy) phe...)
Affinity DataKi:  629nMAssay Description:Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
LigandPNGBDBM473868(4-(N-benzyl-4-(4- chloro-3,5- dimethylphenoxy) phe...)
Affinity DataKi:  659nMAssay Description:Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBcl-2-like protein 1(Homo sapiens (Human))TBA
LigandPNGBDBM473868(4-(N-benzyl-4-(4- chloro-3,5- dimethylphenoxy) phe...)
Affinity DataKi:  1.67E+3nMAssay Description:Binding affinity to BCL-xL (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetIsoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)(Homo sapiens (Human))
University of Maryland, Baltimore

US Patent
LigandPNGBDBM473868(4-(N-benzyl-4-(4- chloro-3,5- dimethylphenoxy) phe...)
Affinity DataKi:  1.67E+3nMAssay Description:Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)(Homo sapiens (Human))
University of Maryland, Baltimore

US Patent
LigandPNGBDBM473868(4-(N-benzyl-4-(4- chloro-3,5- dimethylphenoxy) phe...)
Affinity DataKi:  1.67E+3nMAssay Description:Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent