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BDBM342597 N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindol-1-yl)-4-phenoxyphenyl]methanesulfonamide::US9776990, Example 40

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

InChI Key: InChIKey=GZFJPALDEYOFHA-UHFFFAOYSA-N

Data: 10 KI  17 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 342597   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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14n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Binding affinity to BRD2 BD1-BD2 (G73 to A560 residues) (unknown origin) after 1 hr by Alexa-647-conjugated probe based TR-FRET assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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15n/an/an/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged BRD2 bromodomain 2 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells


J Med Chem 60: 4533-4558 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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US Patent
15n/an/an/an/an/an/an/an/a



AbbVie Inc

US Patent


Assay 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 (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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18n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Binding affinity to BRD4 BD1 (K57 to E168 residues) (unknown origin) after 1 hr by Alexa-647-conjugated probe based TR-FRET assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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33n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay 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 assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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35n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Binding affinity to BRD3 BD1-BD2 (P24 to P416 residues) (unknown origin) after 1 hr by Alexa-647-conjugated probe based TR-FRET assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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38n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) expressed in human H1299 cells co-expressing HPV16-LCR/E2 after 24 hrs by Bright Glo-luciferase reporter gene ass...


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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43n/an/an/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BRD4 bromodomain 2 (E352 to E168 residues) (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 60: 4533-4558 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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43n/an/an/an/an/an/an/an/a



AbbVie Inc

US Patent




US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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110n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Binding affinity to BRDT BD1-BD2 (N21 to P380 residues) (unknown origin) after 1 hr by Alexa-647-conjugated probe based TR-FRET assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of human CREBBP (R1081 to G1197 residues) expressed in bacterial expression system by BROMOscan assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of human BAZ2A (M1792 to L1905 residues) expressed in bacterial expression system by BROMOscan assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of human BRD7 (L125 to R254 residues) expressed in mammalian expression system by BROMOscan assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of human PBRM1 bromodomain 2 (S178 to E291 residues) expressed in bacterial expression system by BROMOscan assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of human BRD1 (E556 to A688 residues) expressed in bacterial expression system by BROMOscan assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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n/an/an/an/a 51n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) expressed in human H1299 cells co-expressing HPV16-LCR/E2 after 24 hrs by Bright Glo-luciferase reporter gene ass...


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase TRIM33


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of human TRIM33-phd-bromo (D882 to A1087 residues) expressed in bacterial expression system by BROMOscan assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of human BAZ2B (S2054 to S2168 residues) expressed in bacterial expression system by BROMOscan assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
Bromodomain and WD repeat-containing protein 1


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of human WDR9 bromodomain 2 (A1310 to E1430 residues) expressed in bacterial expression system by BROMOscan assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1-like


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of human TAF1L (Q1523 to D1654 residues) expressed in bacterial expression system by BROMOscan assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2A/KAT2B


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of human GCN5L2 (E726 to K837 residues) expressed in bacterial expression system by BROMOscan assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
Probable global transcription activator SNF2L2


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of human SMARCA2 (S1377 to Q1486 residues) expressed in bacterial expression system by BROMOscan assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of human SMARCA4 (A1448 to S1575 residues) expressed in bacterial expression system by BROMOscan assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of human CECR2 (P423 to D543 residues) expressed in bacterial expression system by BROMOscan assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
Transcription intermediary factor 1-alpha


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of human TRIM24-phd-bromo (P790 to P977 residues) expressed in bacterial expression system by BROMOscan assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay 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 assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2A/KAT2B


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of human PCAF (G715 to D831 residues) expressed in mammalian expression system by BROMOscan assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
Bromodomain and PHD finger-containing protein 3


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of human BRPF3 (E588 to G701 residues) expressed in bacterial expression system by BROMOscan assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair