null

SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1

InChI Key InChIKey=GZFJPALDEYOFHA-UHFFFAOYSA-N

PDB links: 1 PDB ID matches 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 28 hits for monomerid = 342597   

TargetBromodomain-containing protein 2(Homo sapiens (Human))
AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL
LigandPNGBDBM342597(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)copy SMILEScopy InChI
Affinity DataKi:  14nMAssay Description:Binding affinity to BRD2 BD1-BD2 (G73 to A560 residues) (unknown origin) after 1 hr by Alexa-647-conjugated probe based TR-FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20P12FJPubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me

Curated by ChEMBL
LigandPNGBDBM342597(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)copy SMILEScopy InChI
Affinity DataKi:  15nMAssay Description:Inhibition of His-tagged BRD4 bromodomain 1 (K57 to E168 residues) (unknown origin) after 1 hr by TR-FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me

Curated by ChEMBL
LigandPNGBDBM342597(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)copy SMILEScopy InChI
Affinity DataKi:  15nMAssay Description:Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me

Curated by ChEMBL
LigandPNGBDBM342597(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)copy SMILEScopy InChI
Affinity DataKi:  18nMAssay Description:Binding affinity to BRD4 BD1 (K57 to E168 residues) (unknown origin) after 1 hr by Alexa-647-conjugated probe based TR-FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me

Curated by ChEMBL
LigandPNGBDBM342597(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)copy SMILEScopy InChI
Affinity DataKi:  33nMAssay Description:Binding affinity to His-tagged BRD4 BD1-BD2 (K57 to K550 residues) (unknown origin) after 1 hr by Alexa-647-conjugated probe based TR-FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBromodomain-containing protein 3(Homo sapiens (Human))
AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL
LigandPNGBDBM342597(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)copy SMILEScopy InChI
Affinity DataKi:  35nMAssay Description:Binding affinity to BRD3 BD1-BD2 (P24 to P416 residues) (unknown origin) after 1 hr by Alexa-647-conjugated probe based TR-FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20P12FJPubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me

Curated by ChEMBL
LigandPNGBDBM342597(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)copy SMILEScopy InChI
Affinity DataKi:  38nMAssay Description:Binding affinity to BRD4 BD2 (E352 to M457 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 1 hr by Alexa-647-conjugated pro...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me

Curated by ChEMBL
LigandPNGBDBM342597(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)copy SMILEScopy InChI
Affinity DataKi:  43nMAssay Description:Inhibition of His-tagged BRD4 bromodomain 2 (E352 to E168 residues) (unknown origin) after 1 hr by TR-FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me

Curated by ChEMBL
LigandPNGBDBM342597(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)copy SMILEScopy InChI
Affinity DataKi:  43nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBromodomain testis-specific protein(Homo sapiens (Human))
AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL
LigandPNGBDBM342597(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)copy SMILEScopy InChI
Affinity DataKi:  110nMAssay Description:Binding affinity to BRDT BD1-BD2 (N21 to P380 residues) (unknown origin) after 1 hr by Alexa-647-conjugated probe based TR-FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20P12FJPubMed
TargetCREB-binding protein(Homo sapiens (Human))
AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL
LigandPNGBDBM342597(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of human CREBBP (R1081 to G1197 residues) expressed in bacterial expression system by BROMOscan assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20P12FJPubMed
TargetBromodomain adjacent to zinc finger domain protein 2A(Homo sapiens (Human))
AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL
LigandPNGBDBM342597(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human BAZ2A (M1792 to L1905 residues) expressed in bacterial expression system by BROMOscan assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20P12FJPubMed
TargetBromodomain-containing protein 7(Homo sapiens (Human))
AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL
LigandPNGBDBM342597(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of human BRD7 (L125 to R254 residues) expressed in mammalian expression system by BROMOscan assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20P12FJPubMed
TargetProtein polybromo-1(Homo sapiens (Human))
AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL
LigandPNGBDBM342597(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human PBRM1 bromodomain 2 (S178 to E291 residues) expressed in bacterial expression system by BROMOscan assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20P12FJPubMed
TargetBromodomain-containing protein 1(Homo sapiens (Human))
AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL
LigandPNGBDBM342597(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of human BRD1 (E556 to A688 residues) expressed in bacterial expression system by BROMOscan assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20P12FJPubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me

Curated by ChEMBL
LigandPNGBDBM342597(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)copy SMILEScopy InChI
Affinity DataEC50:  51nMAssay Description:Binding affinity to His-tagged BRD4 BD1-BD2 (K57 to K550 residues) (unknown origin) after 1 hr by Alexa-647-conjugated probe based TR-FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetE3 ubiquitin-protein ligase TRIM33(Homo sapiens (Human))
AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL
LigandPNGBDBM342597(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human TRIM33-phd-bromo (D882 to A1087 residues) expressed in bacterial expression system by BROMOscan assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20P12FJPubMed
TargetBromodomain adjacent to zinc finger domain protein 2B(Homo sapiens (Human))
AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL
LigandPNGBDBM342597(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of human BAZ2B (S2054 to S2168 residues) expressed in bacterial expression system by BROMOscan assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20P12FJPubMed
TargetBromodomain and WD repeat-containing protein 1(Homo sapiens (Human))
AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL
LigandPNGBDBM342597(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human WDR9 bromodomain 2 (A1310 to E1430 residues) expressed in bacterial expression system by BROMOscan assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20P12FJPubMed
TargetTranscription initiation factor TFIID subunit 1-like(Homo sapiens (Human))
AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL
LigandPNGBDBM342597(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of human TAF1L (Q1523 to D1654 residues) expressed in bacterial expression system by BROMOscan assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20P12FJPubMed
TargetHistone acetyltransferase KAT2A(Homo sapiens (Human))
AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL
LigandPNGBDBM342597(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of human GCN5L2 (E726 to K837 residues) expressed in bacterial expression system by BROMOscan assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20P12FJPubMed
TargetProbable global transcription activator SNF2L2(Homo sapiens (Human))
AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL
LigandPNGBDBM342597(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of human SMARCA2 (S1377 to Q1486 residues) expressed in bacterial expression system by BROMOscan assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20P12FJPubMed
TargetTranscription activator BRG1(Homo sapiens (Human))
AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL
LigandPNGBDBM342597(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of human SMARCA4 (A1448 to S1575 residues) expressed in bacterial expression system by BROMOscan assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20P12FJPubMed
TargetChromatin remodeling regulator CECR2(Homo sapiens (Human))
AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL
LigandPNGBDBM342597(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of human CECR2 (P423 to D543 residues) expressed in bacterial expression system by BROMOscan assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20P12FJPubMed
TargetTranscription intermediary factor 1-alpha(Homo sapiens (Human))
AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL
LigandPNGBDBM342597(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human TRIM24-phd-bromo (P790 to P977 residues) expressed in bacterial expression system by BROMOscan assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20P12FJPubMed
TargetProtein polybromo-1(Homo sapiens (Human))
AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL
LigandPNGBDBM342597(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of human PBRM1 bromodomain 5 (S645 to D766 residues) expressed in bacterial expression system by BROMOscan assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20P12FJPubMed
TargetHistone acetyltransferase KAT2B(Homo sapiens (Human))
AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL
LigandPNGBDBM342597(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of human PCAF (G715 to D831 residues) expressed in mammalian expression system by BROMOscan assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20P12FJPubMed
TargetBromodomain and PHD finger-containing protein 3(Homo sapiens (Human))
AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL
LigandPNGBDBM342597(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human BRPF3 (E588 to G701 residues) expressed in bacterial expression system by BROMOscan assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20P12FJPubMed