BDBM60828 ABT-199::BDBM189459::US10213433, Compound 5::US10377755, Example ABT-199::US11318134, Example ABT-199::US11369599, Compound 369::US11590126, Example ABT-199::US11718611, Example T-7::US20240043404, Example 369::US20240166646, Example ABT-199::US9174982, 369

SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1

InChI Key InChIKey=LQBVNQSMGBZMKD-UHFFFAOYSA-N

Data  23 KI  10 IC50  6 Kd

PDB links: 4 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 39 hits for monomerid = 60828   

TargetApoptosis regulator Bcl-2(Human)
Abbvie

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataKi: <0.0100nM ΔG°: <-15.0kcal/moleT: 25°CAssay Description:Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetApoptosis regulator Bcl-2(Human)
Abbvie

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataKi: <0.0100nMAssay Description:Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetApoptosis regulator Bcl-2(Human)
Abbvie

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataKi: <0.0100nMAssay Description:The inhibition constant (Ki) for binding of representative compounds to Bcl-2 protein, as determined by a TR-FRET (Time-Resolved Fluorescence-Resonan...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetApoptosis regulator Bcl-2(Human)
Abbvie

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataKi: <0.0100nMAssay Description:The inhibition constant (Ki) for binding of representative compounds to Bcl-2 protein, as determined by a TR-FRET (Time-Resolved Fluorescence-Resonan...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetApoptosis regulator Bcl-2(Human)
Abbvie

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataKi: <0.0100nMAssay Description:TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetApoptosis regulator Bcl-2(Human)
Abbvie

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataKi: <0.0100nMAssay Description:Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetApoptosis regulator Bcl-2(Human)
Abbvie

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataKi:  0.0360nMAssay Description:The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetApoptosis regulator Bcl-2(Human)
Abbvie

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataKi:  0.180nMAssay Description:Proteins: Bcl-2 (Cisbio 63ADK000CB01PEG); Bcl-xL (Cisbio 63ADK000CB04PEG);Experimental procedures: a) Dilution of the compounds in DMSO: the compound...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetApoptosis regulator Bcl-2(Human)
Abbvie

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataKi:  0.640nMAssay Description:Proteins: Bcl-2 (Cisbio 63ADK000CB01PEG); Bcl-xL (Cisbio 63ADK000CB04PEG);Experimental procedures: a) Dilution of the compounds in DMSO: the compound...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetApoptosis regulator Bcl-2(Human)
Abbvie

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataKi:  0.860nMAssay Description:Proteins: Bcl-2 (Cisbio 63ADK000CB01PEG); Bcl-xL (Cisbio 63ADK000CB04PEG);Experimental procedures: a) Dilution of the compounds in DMSO: the compound...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetApoptosis regulator Bcl-2(Human)
Abbvie

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataKi:  0.880nMAssay Description:Proteins: Bcl-2 (Cisbio 63ADK000CB01PEG); Bcl-xL (Cisbio 63ADK000CB04PEG);Experimental procedures: a) Dilution of the compounds in DMSO: the compound...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetApoptosis regulator Bcl-2(Human)
Abbvie

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataKi:  0.900nMAssay Description:Proteins: Bcl-2 (Cisbio 63ADK000CB01PEG); Bcl-xL (Cisbio 63ADK000CB04PEG);Experimental procedures: a) Dilution of the compounds in DMSO: the compound...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetApoptosis regulator Bcl-2(Human)
Abbvie

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataKi:  1.03nMAssay Description:Proteins: Bcl-2 (Cisbio 63ADK000CB01PEG); Bcl-xL (Cisbio 63ADK000CB04PEG);Experimental procedures: a) Dilution of the compounds in DMSO: the compound...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetApoptosis regulator Bcl-2(Human)
Abbvie

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataKi:  1.20nMAssay Description:Proteins: Bcl-2 (Cisbio 63ADK000CB01PEG); Bcl-xL (Cisbio 63ADK000CB04PEG);Experimental procedures: a) Dilution of the compounds in DMSO: the compound...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetApoptosis regulator Bcl-2(Human)
Abbvie

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataKi:  1.71nMAssay Description:Proteins: Bcl-2 (Cisbio 63ADK000CB01PEG); Bcl-xL (Cisbio 63ADK000CB04PEG);Experimental procedures: a) Dilution of the compounds in DMSO: the compound...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetBcl-2-like protein 1(Human)
Shenzhen Targetrx

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataKi: >100nMAssay Description:Proteins: Bcl-2 (Cisbio 63ADK000CB01PEG); Bcl-xL (Cisbio 63ADK000CB04PEG);Experimental procedures: a) Dilution of the compounds in DMSO: the compound...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetBcl-2-like protein 1(Human)
Shenzhen Targetrx

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataKi: >100nMAssay Description:Proteins: Bcl-2 (Cisbio 63ADK000CB01PEG); Bcl-xL (Cisbio 63ADK000CB04PEG);Experimental procedures: a) Dilution of the compounds in DMSO: the compound...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetBcl-2-like protein 1(Human)
Shenzhen Targetrx

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataKi: >100nMAssay Description:Proteins: Bcl-2 (Cisbio 63ADK000CB01PEG); Bcl-xL (Cisbio 63ADK000CB04PEG);Experimental procedures: a) Dilution of the compounds in DMSO: the compound...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetBcl-2-like protein 1(Human)
Shenzhen Targetrx

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataKi: >100nMAssay Description:Proteins: Bcl-2 (Cisbio 63ADK000CB01PEG); Bcl-xL (Cisbio 63ADK000CB04PEG);Experimental procedures: a) Dilution of the compounds in DMSO: the compound...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetBcl-2-like protein 1(Human)
Shenzhen Targetrx

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataKi: >100nMAssay Description:Proteins: Bcl-2 (Cisbio 63ADK000CB01PEG); Bcl-xL (Cisbio 63ADK000CB04PEG);Experimental procedures: a) Dilution of the compounds in DMSO: the compound...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetBcl-2-like protein 1(Human)
Shenzhen Targetrx

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataKi: >100nMAssay Description:Proteins: Bcl-2 (Cisbio 63ADK000CB01PEG); Bcl-xL (Cisbio 63ADK000CB04PEG);Experimental procedures: a) Dilution of the compounds in DMSO: the compound...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetBcl-2-like protein 1(Human)
Shenzhen Targetrx

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataKi: >100nMAssay Description:Proteins: Bcl-2 (Cisbio 63ADK000CB01PEG); Bcl-xL (Cisbio 63ADK000CB04PEG);Experimental procedures: a) Dilution of the compounds in DMSO: the compound...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetBcl-2-like protein 1(Human)
Shenzhen Targetrx

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataKi: >100nMAssay Description:Proteins: Bcl-2 (Cisbio 63ADK000CB01PEG); Bcl-xL (Cisbio 63ADK000CB04PEG);Experimental procedures: a) Dilution of the compounds in DMSO: the compound...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetApoptosis regulator Bcl-2(Human)
Abbvie

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataIC50: <10nMAssay Description:Table 2: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was also assessed using an HTRF assay. Background: FAM-Bak/Bad binds to surface pocket of the Bc...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetApoptosis regulator Bcl-2(Human)
Abbvie

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataIC50: <10nMAssay Description:Table 2: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was also assessed using an HTRF assay. Background: FAM-Bak/Bad binds to surface pocket of the Bc...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetBcl-2-like protein 1(Human)
Shenzhen Targetrx

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
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 US Patent

TargetIsoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)(Human)
University of California Riverside

LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataIC50: >1.00E+3nMAssay Description:One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetApoptosis regulator Bcl-2(Human)
Abbvie

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataKd: <10nMAssay 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 US Patent

TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
University of California Riverside

LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataIC50: >1.00E+3nMAssay Description:One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBcl-2-like protein 1(Human)
Shenzhen Targetrx

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
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 US Patent

TargetBcl-2-related protein A1 [1-149](Human)
University of California Riverside

LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataIC50: >1.00E+3nMAssay Description:One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetApoptosis regulator Bcl-2(Human)
Abbvie

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataKd: <10nMAssay 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 US Patent

TargetBcl-2-like protein 1(Human)
Shenzhen Targetrx

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataIC50:  55nMAssay Description:Table 2: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was also assessed using an HTRF assay. Background: FAM-Bak/Bad binds to surface pocket of the Bc...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetApoptosis regulator Bcl-2(Human)
Abbvie

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataKd: <10nMAssay 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 US Patent

TargetApoptosis regulator Bcl-2(Human)
Abbvie

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataIC50:  0.420nMAssay Description:The fluorescence-labeled 23 amino acid peptide BH3 was purchased from CalBiochem (NLWAAQRYGRELRRMSDKFVD). An unbound Fluorescein labeled BH3 peptide ...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetApoptosis regulator Bcl-2(Human)
Abbvie

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataIC50: <10nMAssay Description:The fluorescence-labeled 23 amino acid peptide BH3 was purchased from CalBiochem (NLWAAQRYGRELRRMSDKFVD, SEQ ID NO: 1). An unbound Fluorescein labele...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetBcl2-associated agonist of cell death(Human)
Recurium Ip Holding

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
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 US Patent

TargetBcl2-associated agonist of cell death(Human)
Recurium Ip Holding

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataIC50:  55nMAssay Description:Table 2: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was also assessed using an HTRF assay. Background: FAM-Bak/Bad binds to surface pocket of the Bc...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetApoptosis regulator Bcl-2(Human)
Abbvie

US Patent
LigandPNGBDBM60828(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Affinity DataIC50:  4.40nMAssay Description:One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed