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BDBM50256397 CHEMBL4088466

SMILES: Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc[nH]c(=O)c12

InChI Key: InChIKey=JGGBFOUTSJEGRT-UHFFFAOYSA-N

Data: 6 KI  13 IC50  1 EC50

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 20 hits for monomerid = 50256397   
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 4


(Homo sapiens (Human))
BDBM50256397
PNG
(CHEMBL4088466)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc[nH]c(=O)c12
Show InChI InChI=1S/C21H16F2N2O4S/c1-25-11-16(14-7-8-24-21(26)20(14)25)15-10-13(30(2,27)28)4-6-18(15)29-19-5-3-12(22)9-17(19)23/h3-11H,1-2H3,(H,24,26)
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77n/an/an/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 4


(Homo sapiens (Human))
BDBM50256397
PNG
(CHEMBL4088466)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc[nH]c(=O)c12
Show InChI InChI=1S/C21H16F2N2O4S/c1-25-11-16(14-7-8-24-21(26)20(14)25)15-10-13(30(2,27)28)4-6-18(15)29-19-5-3-12(22)9-17(19)23/h3-11H,1-2H3,(H,24,26)
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98n/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
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50256397
PNG
(CHEMBL4088466)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc[nH]c(=O)c12
Show InChI InChI=1S/C21H16F2N2O4S/c1-25-11-16(14-7-8-24-21(26)20(14)25)15-10-13(30(2,27)28)4-6-18(15)29-19-5-3-12(22)9-17(19)23/h3-11H,1-2H3,(H,24,26)
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160n/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))
BDBM50256397
PNG
(CHEMBL4088466)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc[nH]c(=O)c12
Show InChI InChI=1S/C21H16F2N2O4S/c1-25-11-16(14-7-8-24-21(26)20(14)25)15-10-13(30(2,27)28)4-6-18(15)29-19-5-3-12(22)9-17(19)23/h3-11H,1-2H3,(H,24,26)
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280n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay 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...


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

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


(Homo sapiens (Human))
BDBM50256397
PNG
(CHEMBL4088466)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc[nH]c(=O)c12
Show InChI InChI=1S/C21H16F2N2O4S/c1-25-11-16(14-7-8-24-21(26)20(14)25)15-10-13(30(2,27)28)4-6-18(15)29-19-5-3-12(22)9-17(19)23/h3-11H,1-2H3,(H,24,26)
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290n/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 testis-specific protein


(Homo sapiens (Human))
BDBM50256397
PNG
(CHEMBL4088466)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc[nH]c(=O)c12
Show InChI InChI=1S/C21H16F2N2O4S/c1-25-11-16(14-7-8-24-21(26)20(14)25)15-10-13(30(2,27)28)4-6-18(15)29-19-5-3-12(22)9-17(19)23/h3-11H,1-2H3,(H,24,26)
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490n/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
Protein polybromo-1


(Homo sapiens (Human))
BDBM50256397
PNG
(CHEMBL4088466)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc[nH]c(=O)c12
Show InChI InChI=1S/C21H16F2N2O4S/c1-25-11-16(14-7-8-24-21(26)20(14)25)15-10-13(30(2,27)28)4-6-18(15)29-19-5-3-12(22)9-17(19)23/h3-11H,1-2H3,(H,24,26)
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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 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
E3 ubiquitin-protein ligase TRIM33


(Homo sapiens (Human))
BDBM50256397
PNG
(CHEMBL4088466)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc[nH]c(=O)c12
Show InChI InChI=1S/C21H16F2N2O4S/c1-25-11-16(14-7-8-24-21(26)20(14)25)15-10-13(30(2,27)28)4-6-18(15)29-19-5-3-12(22)9-17(19)23/h3-11H,1-2H3,(H,24,26)
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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 2A


(Homo sapiens (Human))
BDBM50256397
PNG
(CHEMBL4088466)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc[nH]c(=O)c12
Show InChI InChI=1S/C21H16F2N2O4S/c1-25-11-16(14-7-8-24-21(26)20(14)25)15-10-13(30(2,27)28)4-6-18(15)29-19-5-3-12(22)9-17(19)23/h3-11H,1-2H3,(H,24,26)
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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
Transcription intermediary factor 1-alpha


(Homo sapiens (Human))
BDBM50256397
PNG
(CHEMBL4088466)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc[nH]c(=O)c12
Show InChI InChI=1S/C21H16F2N2O4S/c1-25-11-16(14-7-8-24-21(26)20(14)25)15-10-13(30(2,27)28)4-6-18(15)29-19-5-3-12(22)9-17(19)23/h3-11H,1-2H3,(H,24,26)
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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
Probable global transcription activator SNF2L2


(Homo sapiens (Human))
BDBM50256397
PNG
(CHEMBL4088466)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc[nH]c(=O)c12
Show InChI InChI=1S/C21H16F2N2O4S/c1-25-11-16(14-7-8-24-21(26)20(14)25)15-10-13(30(2,27)28)4-6-18(15)29-19-5-3-12(22)9-17(19)23/h3-11H,1-2H3,(H,24,26)
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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
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50256397
PNG
(CHEMBL4088466)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc[nH]c(=O)c12
Show InChI InChI=1S/C21H16F2N2O4S/c1-25-11-16(14-7-8-24-21(26)20(14)25)15-10-13(30(2,27)28)4-6-18(15)29-19-5-3-12(22)9-17(19)23/h3-11H,1-2H3,(H,24,26)
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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
Bromodomain and PHD finger-containing protein 3


(Homo sapiens (Human))
BDBM50256397
PNG
(CHEMBL4088466)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc[nH]c(=O)c12
Show InChI InChI=1S/C21H16F2N2O4S/c1-25-11-16(14-7-8-24-21(26)20(14)25)15-10-13(30(2,27)28)4-6-18(15)29-19-5-3-12(22)9-17(19)23/h3-11H,1-2H3,(H,24,26)
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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 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
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50256397
PNG
(CHEMBL4088466)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc[nH]c(=O)c12
Show InChI InChI=1S/C21H16F2N2O4S/c1-25-11-16(14-7-8-24-21(26)20(14)25)15-10-13(30(2,27)28)4-6-18(15)29-19-5-3-12(22)9-17(19)23/h3-11H,1-2H3,(H,24,26)
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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))
BDBM50256397
PNG
(CHEMBL4088466)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc[nH]c(=O)c12
Show InChI InChI=1S/C21H16F2N2O4S/c1-25-11-16(14-7-8-24-21(26)20(14)25)15-10-13(30(2,27)28)4-6-18(15)29-19-5-3-12(22)9-17(19)23/h3-11H,1-2H3,(H,24,26)
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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 PBRM1 bromodomain 5 (S645 to D766 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))
BDBM50256397
PNG
(CHEMBL4088466)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc[nH]c(=O)c12
Show InChI InChI=1S/C21H16F2N2O4S/c1-25-11-16(14-7-8-24-21(26)20(14)25)15-10-13(30(2,27)28)4-6-18(15)29-19-5-3-12(22)9-17(19)23/h3-11H,1-2H3,(H,24,26)
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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))
BDBM50256397
PNG
(CHEMBL4088466)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc[nH]c(=O)c12
Show InChI InChI=1S/C21H16F2N2O4S/c1-25-11-16(14-7-8-24-21(26)20(14)25)15-10-13(30(2,27)28)4-6-18(15)29-19-5-3-12(22)9-17(19)23/h3-11H,1-2H3,(H,24,26)
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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
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50256397
PNG
(CHEMBL4088466)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc[nH]c(=O)c12
Show InChI InChI=1S/C21H16F2N2O4S/c1-25-11-16(14-7-8-24-21(26)20(14)25)15-10-13(30(2,27)28)4-6-18(15)29-19-5-3-12(22)9-17(19)23/h3-11H,1-2H3,(H,24,26)
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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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50256397
PNG
(CHEMBL4088466)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc[nH]c(=O)c12
Show InChI InChI=1S/C21H16F2N2O4S/c1-25-11-16(14-7-8-24-21(26)20(14)25)15-10-13(30(2,27)28)4-6-18(15)29-19-5-3-12(22)9-17(19)23/h3-11H,1-2H3,(H,24,26)
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n/an/an/an/a 150n/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
Bromodomain and WD repeat-containing protein 1


(Homo sapiens (Human))
BDBM50256397
PNG
(CHEMBL4088466)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc[nH]c(=O)c12
Show InChI InChI=1S/C21H16F2N2O4S/c1-25-11-16(14-7-8-24-21(26)20(14)25)15-10-13(30(2,27)28)4-6-18(15)29-19-5-3-12(22)9-17(19)23/h3-11H,1-2H3,(H,24,26)
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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