null

SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1

InChI Key InChIKey=JLYAXFNOILIKPP-KXQOOQHDSA-N

PDB links: 3 PDB IDs match this monomer.

  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 10 hits for monomerid = 50270877   

TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
Taros Chemicals GmbH & Co. KG

Curated by ChEMBL
LigandPNGBDBM50270877((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...)copy SMILEScopy InChI
Affinity DataKd:  55nMAssay Description:Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2QR51BHUS Patent
TargetBcl2-associated agonist of cell death(Homo sapiens (Human))
Astex Therapeutics Ltd.

Curated by ChEMBL
LigandPNGBDBM50270877((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...)copy SMILEScopy InChI
Affinity DataKd:  55nMAssay Description:Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2QR51BHUS Patent
TargetBcl-2-like protein 1(Homo sapiens (Human))
AbbVie Inc.

Curated by ChEMBL
LigandPNGBDBM50270877((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...)copy SMILEScopy InChI
Affinity DataKd:  2.10nMAssay Description:Displacement of biotin-tagged LWAAQRYGRELRRMSDEFEGSFKGL from human BCL-XL expressed in Escherichia coli measured after 2 hrs by AlphaScreen assayMore data for this Ligand-Target Pair
TargetBcl-2-like protein 1(Homo sapiens (Human))
AbbVie Inc.

Curated by ChEMBL
LigandPNGBDBM50270877((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...)copy SMILEScopy InChI
Affinity DataKd:  55nMAssay Description:Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...More data for this Ligand-Target Pair
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
Taros Chemicals GmbH & Co. KG

Curated by ChEMBL
LigandPNGBDBM50270877((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...)copy SMILEScopy InChI
Affinity DataKd:  55nMAssay Description:Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2HD7ZW9US Patent
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
Taros Chemicals GmbH & Co. KG

Curated by ChEMBL
LigandPNGBDBM50270877((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...)copy SMILEScopy InChI
Affinity DataKd:  1.80E+3nMAssay Description:Binding affinity to human full-length N-terminal His6-tagged prephosphorylated Bcl2 (2 to 206 residues) expressed in Escherichia coli S12 extract by ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26D5XN6PubMed
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
Taros Chemicals GmbH & Co. KG

Curated by ChEMBL
LigandPNGBDBM50270877((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...)copy SMILEScopy InChI
Affinity DataKd:  21nMAssay Description:Binding affinity to human full-length N-terminal His6-tagged Bcl2 (2 to 206 residues) expressed in Escherichia coli S12 extract by isothermal titrati...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26D5XN6PubMed
TargetBcl-2-like protein 1(Homo sapiens (Human))
AbbVie Inc.

Curated by ChEMBL
LigandPNGBDBM50270877((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...)copy SMILEScopy InChI
Affinity DataKd:  55nMAssay Description:Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown in parall...More data for this Ligand-Target Pair
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
Taros Chemicals GmbH & Co. KG

Curated by ChEMBL
LigandPNGBDBM50270877((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...)copy SMILEScopy InChI
Affinity DataKd:  55nMAssay Description:Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown in parall...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q29K4G5TUS Patent
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
Taros Chemicals GmbH & Co. KG

Curated by ChEMBL
LigandPNGBDBM50270877((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...)copy SMILEScopy InChI
Affinity DataKd:  0.650nMAssay Description:Displacement of biotin-tagged MRPEPATIAQELRRIGDEFNA from C-terminal His-tagged human BCL-2 (1` to 211 residues) expressed in Escherichia coli measure...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NK3JX7PubMed