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BDBM50370181 CHEMBL4159382

SMILES: Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O

InChI Key: InChIKey=IRKMSULWLDLTIK-QZQOTICOSA-N

Data: 13 IC50

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 22 hits for monomerid = 50370181   
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))
BDBM50370181
PNG
(CHEMBL4159382 | US11117865, Compound ZL0454)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Show InChI InChI=1S/C18H22N4O3S/c1-12-10-17(16(19)11-18(12)23)21-20-13-6-8-15(9-7-13)26(24,25)22-14-4-2-3-5-14/h6-11,14,22-23H,2-5,19H2,1H3/b21-20+
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n/an/a 810n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced ISG54 RNA expression preincubated for 24 hrs followed ...


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(BD2)


(Homo sapiens (Human))
BDBM50370181
PNG
(CHEMBL4159382 | US11117865, Compound ZL0454)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Show InChI InChI=1S/C18H22N4O3S/c1-12-10-17(16(19)11-18(12)23)21-20-13-6-8-15(9-7-13)26(24,25)22-14-4-2-3-5-14/h6-11,14,22-23H,2-5,19H2,1H3/b21-20+
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n/an/a 32n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50370181
PNG
(CHEMBL4159382 | US11117865, Compound ZL0454)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Show InChI InChI=1S/C18H22N4O3S/c1-12-10-17(16(19)11-18(12)23)21-20-13-6-8-15(9-7-13)26(24,25)22-14-4-2-3-5-14/h6-11,14,22-23H,2-5,19H2,1H3/b21-20+
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n/an/a 790n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced grobeta RNA expression preincubated for 24 hrs followe...


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50370181
PNG
(CHEMBL4159382 | US11117865, Compound ZL0454)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Show InChI InChI=1S/C18H22N4O3S/c1-12-10-17(16(19)11-18(12)23)21-20-13-6-8-15(9-7-13)26(24,25)22-14-4-2-3-5-14/h6-11,14,22-23H,2-5,19H2,1H3/b21-20+
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n/an/a 49n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 BD1 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50370181
PNG
(CHEMBL4159382 | US11117865, Compound ZL0454)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Show InChI InChI=1S/C18H22N4O3S/c1-12-10-17(16(19)11-18(12)23)21-20-13-6-8-15(9-7-13)26(24,25)22-14-4-2-3-5-14/h6-11,14,22-23H,2-5,19H2,1H3/b21-20+
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n/an/a 1.84E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD2 BD2 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50370181
PNG
(CHEMBL4159382 | US11117865, Compound ZL0454)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Show InChI InChI=1S/C18H22N4O3S/c1-12-10-17(16(19)11-18(12)23)21-20-13-6-8-15(9-7-13)26(24,25)22-14-4-2-3-5-14/h6-11,14,22-23H,2-5,19H2,1H3/b21-20+
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n/an/a 3.29E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRDT BD1 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50370181
PNG
(CHEMBL4159382 | US11117865, Compound ZL0454)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Show InChI InChI=1S/C18H22N4O3S/c1-12-10-17(16(19)11-18(12)23)21-20-13-6-8-15(9-7-13)26(24,25)22-14-4-2-3-5-14/h6-11,14,22-23H,2-5,19H2,1H3/b21-20+
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n/an/a 2.49E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD3 BD1 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50370181
PNG
(CHEMBL4159382 | US11117865, Compound ZL0454)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Show InChI InChI=1S/C18H22N4O3S/c1-12-10-17(16(19)11-18(12)23)21-20-13-6-8-15(9-7-13)26(24,25)22-14-4-2-3-5-14/h6-11,14,22-23H,2-5,19H2,1H3/b21-20+
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n/an/a 860n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced ISG56 RNA expression preincubated for 24 hrs followed ...


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50370181
PNG
(CHEMBL4159382 | US11117865, Compound ZL0454)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Show InChI InChI=1S/C18H22N4O3S/c1-12-10-17(16(19)11-18(12)23)21-20-13-6-8-15(9-7-13)26(24,25)22-14-4-2-3-5-14/h6-11,14,22-23H,2-5,19H2,1H3/b21-20+
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n/an/a 730n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced IL-8 RNA expression preincubated for 24 hrs followed b...


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50370181
PNG
(CHEMBL4159382 | US11117865, Compound ZL0454)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Show InChI InChI=1S/C18H22N4O3S/c1-12-10-17(16(19)11-18(12)23)21-20-13-6-8-15(9-7-13)26(24,25)22-14-4-2-3-5-14/h6-11,14,22-23H,2-5,19H2,1H3/b21-20+
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n/an/a 32n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 BD2 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50370181
PNG
(CHEMBL4159382 | US11117865, Compound ZL0454)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Show InChI InChI=1S/C18H22N4O3S/c1-12-10-17(16(19)11-18(12)23)21-20-13-6-8-15(9-7-13)26(24,25)22-14-4-2-3-5-14/h6-11,14,22-23H,2-5,19H2,1H3/b21-20+
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n/an/a 2.24E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD3 BD2 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50370181
PNG
(CHEMBL4159382 | US11117865, Compound ZL0454)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Show InChI InChI=1S/C18H22N4O3S/c1-12-10-17(16(19)11-18(12)23)21-20-13-6-8-15(9-7-13)26(24,25)22-14-4-2-3-5-14/h6-11,14,22-23H,2-5,19H2,1H3/b21-20+
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n/an/a 3.08E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRDT BD2 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50370181
PNG
(CHEMBL4159382 | US11117865, Compound ZL0454)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Show InChI InChI=1S/C18H22N4O3S/c1-12-10-17(16(19)11-18(12)23)21-20-13-6-8-15(9-7-13)26(24,25)22-14-4-2-3-5-14/h6-11,14,22-23H,2-5,19H2,1H3/b21-20+
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of CBP (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 Bromo 1 domain(BRD2 BD1)


(Homo sapiens (Human))
BDBM50370181
PNG
(CHEMBL4159382 | US11117865, Compound ZL0454)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Show InChI InChI=1S/C18H22N4O3S/c1-12-10-17(16(19)11-18(12)23)21-20-13-6-8-15(9-7-13)26(24,25)22-14-4-2-3-5-14/h6-11,14,22-23H,2-5,19H2,1H3/b21-20+
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n/an/a 772n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 Bromo 2 domain(BRD2 BD2)


(Homo sapiens (Human))
BDBM50370181
PNG
(CHEMBL4159382 | US11117865, Compound ZL0454)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Show InChI InChI=1S/C18H22N4O3S/c1-12-10-17(16(19)11-18(12)23)21-20-13-6-8-15(9-7-13)26(24,25)22-14-4-2-3-5-14/h6-11,14,22-23H,2-5,19H2,1H3/b21-20+
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n/an/a 1.84E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3 Bromo 1 domain(BRD3 BD1)


(Homo sapiens (Human))
BDBM50370181
PNG
(CHEMBL4159382 | US11117865, Compound ZL0454)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Show InChI InChI=1S/C18H22N4O3S/c1-12-10-17(16(19)11-18(12)23)21-20-13-6-8-15(9-7-13)26(24,25)22-14-4-2-3-5-14/h6-11,14,22-23H,2-5,19H2,1H3/b21-20+
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n/an/a 2.49E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3 Bromo 2 domain(BRD3 BD2)


(Homo sapiens (Human))
BDBM50370181
PNG
(CHEMBL4159382 | US11117865, Compound ZL0454)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Show InChI InChI=1S/C18H22N4O3S/c1-12-10-17(16(19)11-18(12)23)21-20-13-6-8-15(9-7-13)26(24,25)22-14-4-2-3-5-14/h6-11,14,22-23H,2-5,19H2,1H3/b21-20+
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n/an/a 2.24E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein (BRDT)(BD1)


(Homo sapiens (Human))
BDBM50370181
PNG
(CHEMBL4159382 | US11117865, Compound ZL0454)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Show InChI InChI=1S/C18H22N4O3S/c1-12-10-17(16(19)11-18(12)23)21-20-13-6-8-15(9-7-13)26(24,25)22-14-4-2-3-5-14/h6-11,14,22-23H,2-5,19H2,1H3/b21-20+
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n/an/a 3.29E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein (BRDT)(BD2)


(Homo sapiens (Human))
BDBM50370181
PNG
(CHEMBL4159382 | US11117865, Compound ZL0454)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Show InChI InChI=1S/C18H22N4O3S/c1-12-10-17(16(19)11-18(12)23)21-20-13-6-8-15(9-7-13)26(24,25)22-14-4-2-3-5-14/h6-11,14,22-23H,2-5,19H2,1H3/b21-20+
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n/an/a 3.08E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50370181
PNG
(CHEMBL4159382 | US11117865, Compound ZL0454)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Show InChI InChI=1S/C18H22N4O3S/c1-12-10-17(16(19)11-18(12)23)21-20-13-6-8-15(9-7-13)26(24,25)22-14-4-2-3-5-14/h6-11,14,22-23H,2-5,19H2,1H3/b21-20+
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(BD1)


(Homo sapiens (Human))
BDBM50370181
PNG
(CHEMBL4159382 | US11117865, Compound ZL0454)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Show InChI InChI=1S/C18H22N4O3S/c1-12-10-17(16(19)11-18(12)23)21-20-13-6-8-15(9-7-13)26(24,25)22-14-4-2-3-5-14/h6-11,14,22-23H,2-5,19H2,1H3/b21-20+
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n/an/a 49n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50370181
PNG
(CHEMBL4159382 | US11117865, Compound ZL0454)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Show InChI InChI=1S/C18H22N4O3S/c1-12-10-17(16(19)11-18(12)23)21-20-13-6-8-15(9-7-13)26(24,25)22-14-4-2-3-5-14/h6-11,14,22-23H,2-5,19H2,1H3/b21-20+
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Article
PubMed
n/an/a 772n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD2 BD1 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair