BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 336 hits with Last Name = 'picaud' and Initial = 's'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM50504160
PNG
(CHEMBL3133807 | US11773085, Compound B25)
Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PubMed
n/an/a 9.40n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay


Sci Adv 2: (2016)


BindingDB Entry DOI: 10.7270/Q24J0JPZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50210164
PNG
(CHEMBL2132936)
Show SMILES Cc1nnc2C(CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:14|
Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of [3H]-Nalpha-methylhistamine binding to H3 receptor in guinea-pig brain membranes


Citation and Details

Article DOI: 10.1038/nature09504
BindingDB Entry DOI: 10.7270/Q2R78JST
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50504160
PNG
(CHEMBL3133807 | US11773085, Compound B25)
Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
PubMed
n/an/a 47n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated pepti...


Sci Adv 2: (2016)


BindingDB Entry DOI: 10.7270/Q24J0JPZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM50504160
PNG
(CHEMBL3133807 | US11773085, Compound B25)
Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PubMed
n/an/a 48n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay


Sci Adv 2: (2016)


BindingDB Entry DOI: 10.7270/Q24J0JPZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365262
PNG
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14|
Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 77n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity to human BRD4 bromodomain 1 using H4Ac4 peptide by amplified luminescent proximity homogeneous assay


J Med Chem 56: 3217-27 (2013)


Article DOI: 10.1021/jm301588r
BindingDB Entry DOI: 10.7270/Q2B859GC
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365262
PNG
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14|
Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 77n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follow...


Bioorg Med Chem 26: 2937-2957 (2018)


Article DOI: 10.1016/j.bmc.2018.05.003
BindingDB Entry DOI: 10.7270/Q2Z89FXZ
More data for this
Ligand-Target Pair
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM50504160
PNG
(CHEMBL3133807 | US11773085, Compound B25)
Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PubMed
n/an/a 79n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay


Sci Adv 2: (2016)


BindingDB Entry DOI: 10.7270/Q24J0JPZ
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM188519
PNG
(SGC-CBP30)
Show SMILES COc1ccc(CCc2nc3cc(ccc3n2C[C@H](C)N2CCOCC2)-c2c(C)noc2C)cc1Cl |r|
Show InChI InChI=1S/C28H33ClN4O3/c1-18(32-11-13-35-14-12-32)17-33-25-8-7-22(28-19(2)31-36-20(28)3)16-24(25)30-27(33)10-6-21-5-9-26(34-4)23(29)15-21/h5,7-9,15-16,18H,6,10-14,17H2,1-4H3/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 79n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human CREBBP by AlphaScreen assay


Bioorg Med Chem 26: 2937-2957 (2018)


Article DOI: 10.1016/j.bmc.2018.05.003
BindingDB Entry DOI: 10.7270/Q2Z89FXZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50504160
PNG
(CHEMBL3133807 | US11773085, Compound B25)
Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
PubMed
n/an/a 83n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay


Sci Adv 2: (2016)


BindingDB Entry DOI: 10.7270/Q24J0JPZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50504160
PNG
(CHEMBL3133807 | US11773085, Compound B25)
Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
PubMed
n/an/a 116n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated pepti...


Sci Adv 2: (2016)


BindingDB Entry DOI: 10.7270/Q24J0JPZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peregrin


(Homo sapiens (Human))
BDBM50504160
PNG
(CHEMBL3133807 | US11773085, Compound B25)
Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
PubMed
n/an/a 141n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay


Sci Adv 2: (2016)


BindingDB Entry DOI: 10.7270/Q24J0JPZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50495426
PNG
(CHEMBL3108801)
Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C26H23ClN6O3S/c1-17-28-29-26-20-7-3-2-6-19(20)25(30-33(17)26)18-10-11-23(32-12-14-36-15-13-32)22(16-18)31-37(34,35)24-9-5-4-8-21(24)27/h2-11,16,31H,12-15H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 158n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from BRD4 bromodomain-1 (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM50495431
PNG
(CHEMBL3108800)
Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C21H22N6O3S/c1-14-22-23-21-17-6-4-3-5-16(17)20(24-27(14)21)15-7-8-19(26-9-11-30-12-10-26)18(13-15)25-31(2,28)29/h3-8,13,25H,9-12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 158n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from CECR2 bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50273645
PNG
(CHEMBL4129171)
Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1cccnc1
Show InChI InChI=1S/C17H16N2O3/c1-10-16(11(2)22-19-10)13-6-14(8-15(20)7-13)17(21)12-4-3-5-18-9-12/h3-9,17,20-21H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 166n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...


Bioorg Med Chem 26: 2937-2957 (2018)


Article DOI: 10.1016/j.bmc.2018.05.003
BindingDB Entry DOI: 10.7270/Q2Z89FXZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50273654
PNG
(CHEMBL4127935)
Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)C1CCCCC1
Show InChI InChI=1S/C18H23NO3/c1-11-17(12(2)22-19-11)14-8-15(10-16(20)9-14)18(21)13-6-4-3-5-7-13/h8-10,13,18,20-21H,3-7H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 166n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...


Bioorg Med Chem 26: 2937-2957 (2018)


Article DOI: 10.1016/j.bmc.2018.05.003
BindingDB Entry DOI: 10.7270/Q2Z89FXZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50273654
PNG
(CHEMBL4127935)
Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)C1CCCCC1
Show InChI InChI=1S/C18H23NO3/c1-11-17(12(2)22-19-11)14-8-15(10-16(20)9-14)18(21)13-6-4-3-5-7-13/h8-10,13,18,20-21H,3-7H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 166n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...


Bioorg Med Chem 26: 2937-2957 (2018)


Article DOI: 10.1016/j.bmc.2018.05.003
BindingDB Entry DOI: 10.7270/Q2Z89FXZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50273645
PNG
(CHEMBL4129171)
Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1cccnc1
Show InChI InChI=1S/C17H16N2O3/c1-10-16(11(2)22-19-10)13-6-14(8-15(20)7-13)17(21)12-4-3-5-18-9-12/h3-9,17,20-21H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 166n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...


Bioorg Med Chem 26: 2937-2957 (2018)


Article DOI: 10.1016/j.bmc.2018.05.003
BindingDB Entry DOI: 10.7270/Q2Z89FXZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50430826
PNG
(CHEMBL2335155)
Show SMILES Cc1noc(C)c1-c1ccc2ncn(Cc3ccc(cc3)C#N)c2c1
Show InChI InChI=1S/C20H16N4O/c1-13-20(14(2)25-23-13)17-7-8-18-19(9-17)24(12-22-18)11-16-5-3-15(10-21)4-6-16/h3-9,12H,11H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 180n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity to human BRD4 bromodomain 1 using H4Ac4 peptide by amplified luminescent proximity homogeneous assay


J Med Chem 56: 3217-27 (2013)


Article DOI: 10.1021/jm301588r
BindingDB Entry DOI: 10.7270/Q2B859GC
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50399443
PNG
(CHEMBL2179385)
Show SMILES CN1Cc2cc(NS(=O)(=O)c3ccc(F)cc3Cl)ccc2NC1=O
Show InChI InChI=1S/C15H13ClFN3O3S/c1-20-8-9-6-11(3-4-13(9)18-15(20)21)19-24(22,23)14-5-2-10(17)7-12(14)16/h2-7,19H,8H2,1H3,(H,18,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BRD4 isoform 1 by AlphaScreen assay


J Med Chem 55: 9831-7 (2012)


Article DOI: 10.1021/jm3010515
BindingDB Entry DOI: 10.7270/Q20C4WXS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50430826
PNG
(CHEMBL2335155)
Show SMILES Cc1noc(C)c1-c1ccc2ncn(Cc3ccc(cc3)C#N)c2c1
Show InChI InChI=1S/C20H16N4O/c1-13-20(14(2)25-23-13)17-7-8-18-19(9-17)24(12-22-18)11-16-5-3-15(10-21)4-6-16/h3-9,12H,11H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 199n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRD4 bromodomain-1 (unknown origin) by AlphaScreen assay


Medchemcomm 4: 140-144 (2013)


Article DOI: 10.1039/c2md20189e
BindingDB Entry DOI: 10.7270/Q2RX9G1D
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50430826
PNG
(CHEMBL2335155)
Show SMILES Cc1noc(C)c1-c1ccc2ncn(Cc3ccc(cc3)C#N)c2c1
Show InChI InChI=1S/C20H16N4O/c1-13-20(14(2)25-23-13)17-7-8-18-19(9-17)24(12-22-18)11-16-5-3-15(10-21)4-6-16/h3-9,12H,11H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRD4 bromodomain-1 (unknown origin) by AlphaScreen assay


Medchemcomm 4: 140-144 (2013)


Article DOI: 10.1039/c2md20189e
BindingDB Entry DOI: 10.7270/Q2RX9G1D
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50495426
PNG
(CHEMBL3108801)
Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C26H23ClN6O3S/c1-17-28-29-26-20-7-3-2-6-19(20)25(30-33(17)26)18-10-11-23(32-12-14-36-15-13-32)22(16-18)31-37(34,35)24-9-5-4-8-21(24)27/h2-11,16,31H,12-15H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H2K9(Ac)K13(Ac)K15(Ac) peptide from BRD9 bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50495426
PNG
(CHEMBL3108801)
Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C26H23ClN6O3S/c1-17-28-29-26-20-7-3-2-6-19(20)25(30-33(17)26)18-10-11-23(32-12-14-36-15-13-32)22(16-18)31-37(34,35)24-9-5-4-8-21(24)27/h2-11,16,31H,12-15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H3K56(Ac) peptide from CREBBP bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50399434
PNG
(CHEMBL2179387)
Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2NC(=O)N(C)Cc2c1
Show InChI InChI=1S/C16H17N3O4S/c1-19-10-11-9-12(7-8-13(11)17-16(19)20)18-24(21,22)15-6-4-3-5-14(15)23-2/h3-9,18H,10H2,1-2H3,(H,17,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 220n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity to human BRD4 bromodomain 1 using H4Ac4 peptide by amplified luminescent proximity homogeneous assay


J Med Chem 56: 3217-27 (2013)


Article DOI: 10.1021/jm301588r
BindingDB Entry DOI: 10.7270/Q2B859GC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50399442
PNG
(CHEMBL2179386)
Show SMILES CN1Cc2cc(NS(=O)(=O)c3ccccc3C)ccc2NC1=O
Show InChI InChI=1S/C16H17N3O3S/c1-11-5-3-4-6-15(11)23(21,22)18-13-7-8-14-12(9-13)10-19(2)16(20)17-14/h3-9,18H,10H2,1-2H3,(H,17,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BRD4 isoform 1 by AlphaScreen assay


J Med Chem 55: 9831-7 (2012)


Article DOI: 10.1021/jm3010515
BindingDB Entry DOI: 10.7270/Q20C4WXS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50399434
PNG
(CHEMBL2179387)
Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2NC(=O)N(C)Cc2c1
Show InChI InChI=1S/C16H17N3O4S/c1-19-10-11-9-12(7-8-13(11)17-16(19)20)18-24(21,22)15-6-4-3-5-14(15)23-2/h3-9,18H,10H2,1-2H3,(H,17,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 220n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follow...


Bioorg Med Chem 26: 2937-2957 (2018)


Article DOI: 10.1016/j.bmc.2018.05.003
BindingDB Entry DOI: 10.7270/Q2Z89FXZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50399434
PNG
(CHEMBL2179387)
Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2NC(=O)N(C)Cc2c1
Show InChI InChI=1S/C16H17N3O4S/c1-19-10-11-9-12(7-8-13(11)17-16(19)20)18-24(21,22)15-6-4-3-5-14(15)23-2/h3-9,18H,10H2,1-2H3,(H,17,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BRD4 isoform 1 by AlphaScreen assay


J Med Chem 55: 9831-7 (2012)


Article DOI: 10.1021/jm3010515
BindingDB Entry DOI: 10.7270/Q20C4WXS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50273629
PNG
(CHEMBL4128951)
Show SMILES Cc1noc(C)c1-c1cc(O)cc(CN2CCC(F)(F)CC2)c1
Show InChI InChI=1S/C17H20F2N2O2/c1-11-16(12(2)23-20-11)14-7-13(8-15(22)9-14)10-21-5-3-17(18,19)4-6-21/h7-9,22H,3-6,10H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 234n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...


Bioorg Med Chem 26: 2937-2957 (2018)


Article DOI: 10.1016/j.bmc.2018.05.003
BindingDB Entry DOI: 10.7270/Q2Z89FXZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50273629
PNG
(CHEMBL4128951)
Show SMILES Cc1noc(C)c1-c1cc(O)cc(CN2CCC(F)(F)CC2)c1
Show InChI InChI=1S/C17H20F2N2O2/c1-11-16(12(2)23-20-11)14-7-13(8-15(22)9-14)10-21-5-3-17(18,19)4-6-21/h7-9,22H,3-6,10H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 235n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...


Bioorg Med Chem 26: 2937-2957 (2018)


Article DOI: 10.1016/j.bmc.2018.05.003
BindingDB Entry DOI: 10.7270/Q2Z89FXZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50495431
PNG
(CHEMBL3108800)
Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C21H22N6O3S/c1-14-22-23-21-17-6-4-3-5-16(17)20(24-27(14)21)15-7-8-19(26-9-11-30-12-10-26)18(13-15)25-31(2,28)29/h3-8,13,25H,9-12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 251n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from BRD4 bromodomain-1 (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM50495429
PNG
(CHEMBL3108781)
Show SMILES CN(C)S(=O)(=O)c1cc(ccc1C)-c1nn2c(C)nnc2c2ccccc12
Show InChI InChI=1S/C19H19N5O2S/c1-12-9-10-14(11-17(12)27(25,26)23(3)4)18-15-7-5-6-8-16(15)19-21-20-13(2)24(19)22-18/h5-11H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 251n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from CECR2 bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50266286
PNG
(CHEMBL4650213)
Show SMILES Oc1ccccc1C(=O)C=CN1C[C@H]2C[C@@H]1CN2c1ccccn1
Show InChI InChI=1S/C21H15N3O3/c1-22-16-10-9-13(11-17(16)23(2)21(22)27)24-19(25)14-7-3-5-12-6-4-8-15(18(12)14)20(24)26/h3-11H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 263n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Alphascreen assay. Binding to SMARCA4A (domain start/stop: L1451-E1580) by alphascreen assay


Sci Adv 1: (2015)


Article DOI: 10.1126/sciadv.1500723
BindingDB Entry DOI: 10.7270/Q2S75KX6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50273652
PNG
(CHEMBL4130228)
Show SMILES COc1ccccc1C(O)c1cc(O)cc(c1)-c1c(C)noc1C
Show InChI InChI=1S/C19H19NO4/c1-11-18(12(2)24-20-11)13-8-14(10-15(21)9-13)19(22)16-6-4-5-7-17(16)23-3/h4-10,19,21-22H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 269n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...


Bioorg Med Chem 26: 2937-2957 (2018)


Article DOI: 10.1016/j.bmc.2018.05.003
BindingDB Entry DOI: 10.7270/Q2Z89FXZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50273652
PNG
(CHEMBL4130228)
Show SMILES COc1ccccc1C(O)c1cc(O)cc(c1)-c1c(C)noc1C
Show InChI InChI=1S/C19H19NO4/c1-11-18(12(2)24-20-11)13-8-14(10-15(21)9-13)19(22)16-6-4-5-7-17(16)23-3/h4-10,19,21-22H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 270n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...


Bioorg Med Chem 26: 2937-2957 (2018)


Article DOI: 10.1016/j.bmc.2018.05.003
BindingDB Entry DOI: 10.7270/Q2Z89FXZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50273619
PNG
(CHEMBL4125731)
Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1ccc(C)cc1
Show InChI InChI=1S/C19H19NO3/c1-11-4-6-14(7-5-11)19(22)16-8-15(9-17(21)10-16)18-12(2)20-23-13(18)3/h4-10,19,21-22H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 295n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...


Bioorg Med Chem 26: 2937-2957 (2018)


Article DOI: 10.1016/j.bmc.2018.05.003
BindingDB Entry DOI: 10.7270/Q2Z89FXZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50273619
PNG
(CHEMBL4125731)
Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1ccc(C)cc1
Show InChI InChI=1S/C19H19NO3/c1-11-4-6-14(7-5-11)19(22)16-8-15(9-17(21)10-16)18-12(2)20-23-13(18)3/h4-10,19,21-22H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 296n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...


Bioorg Med Chem 26: 2937-2957 (2018)


Article DOI: 10.1016/j.bmc.2018.05.003
BindingDB Entry DOI: 10.7270/Q2Z89FXZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50504160
PNG
(CHEMBL3133807 | US11773085, Compound B25)
Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
PubMed
n/an/a 300n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay


Sci Adv 2: (2016)


BindingDB Entry DOI: 10.7270/Q24J0JPZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50273650
PNG
(CHEMBL4127775)
Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1ccncc1
Show InChI InChI=1S/C17H16N2O3/c1-10-16(11(2)22-19-10)13-7-14(9-15(20)8-13)17(21)12-3-5-18-6-4-12/h3-9,17,20-21H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 302n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...


Bioorg Med Chem 26: 2937-2957 (2018)


Article DOI: 10.1016/j.bmc.2018.05.003
BindingDB Entry DOI: 10.7270/Q2Z89FXZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50273650
PNG
(CHEMBL4127775)
Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1ccncc1
Show InChI InChI=1S/C17H16N2O3/c1-10-16(11(2)22-19-10)13-7-14(9-15(20)8-13)17(21)12-3-5-18-6-4-12/h3-9,17,20-21H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 303n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...


Bioorg Med Chem 26: 2937-2957 (2018)


Article DOI: 10.1016/j.bmc.2018.05.003
BindingDB Entry DOI: 10.7270/Q2Z89FXZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50504160
PNG
(CHEMBL3133807 | US11773085, Compound B25)
Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
PubMed
n/an/a 311n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay


Sci Adv 2: (2016)


BindingDB Entry DOI: 10.7270/Q24J0JPZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50151661
PNG
(CHEMBL3752296)
Show SMILES COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)[C@@H](C)Nc34)c2c1 |r|
Show InChI InChI=1S/C23H28N4O3/c1-15-22(28)26-19-8-3-7-18(21(19)25-15)23(29)24-11-5-13-27-12-4-6-16-9-10-17(30-2)14-20(16)27/h3,7-10,14-15,25H,4-6,11-13H2,1-2H3,(H,24,29)(H,26,28)/t15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 316n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CREBBP


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00348
BindingDB Entry DOI: 10.7270/Q2RF5ZW2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50495431
PNG
(CHEMBL3108800)
Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C21H22N6O3S/c1-14-22-23-21-17-6-4-3-5-16(17)20(24-27(14)21)15-7-8-19(26-9-11-30-12-10-26)18(13-15)25-31(2,28)29/h3-8,13,25H,9-12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 316n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H2K9(Ac)K13(Ac)K15(Ac) peptide from BRD9 bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50151661
PNG
(CHEMBL3752296)
Show SMILES COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)[C@@H](C)Nc34)c2c1 |r|
Show InChI InChI=1S/C23H28N4O3/c1-15-22(28)26-19-8-3-7-18(21(19)25-15)23(29)24-11-5-13-27-12-4-6-16-9-10-17(30-2)14-20(16)27/h3,7-10,14-15,25H,4-6,11-13H2,1-2H3,(H,24,29)(H,26,28)/t15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 323n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CREBBP (unknown origin) by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00348
BindingDB Entry DOI: 10.7270/Q2RF5ZW2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50266292
PNG
(CHEMBL3906203)
Show SMILES CCC(=O)N1CCOc2c(C1)cc(cc2OCC1CCCN(C)C1)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C22H17N3O3/c1-12-10-17-18(24(3)22(28)23(17)2)11-16(12)25-20(26)14-8-4-6-13-7-5-9-15(19(13)14)21(25)27/h4-11H,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 324n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Alphascreen assay. Binding to CREBBPA (domain start/stop: R1081-G1197) by alphascreen assay


Cancer Res 75: 5106-5119 (2015)


Article DOI: 10.1158/0008-5472.CAN-15-0236
BindingDB Entry DOI: 10.7270/Q2HQ43GJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50399441
PNG
(CHEMBL2179388)
Show SMILES CN1Cc2cc(NS(=O)(=O)c3ccccc3F)ccc2NC1=O
Show InChI InChI=1S/C15H14FN3O3S/c1-19-9-10-8-11(6-7-13(10)17-15(19)20)18-23(21,22)14-5-3-2-4-12(14)16/h2-8,18H,9H2,1H3,(H,17,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 360n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BRD4 isoform 1 by AlphaScreen assay


J Med Chem 55: 9831-7 (2012)


Article DOI: 10.1021/jm3010515
BindingDB Entry DOI: 10.7270/Q20C4WXS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50430836
PNG
(CHEMBL2335153)
Show SMILES CC(=O)Oc1cc(cc(c1)-c1c(C)noc1C)C(O)c1ccccc1
Show InChI InChI=1S/C20H19NO4/c1-12-19(13(2)25-21-12)16-9-17(11-18(10-16)24-14(3)22)20(23)15-7-5-4-6-8-15/h4-11,20,23H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 371n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity to human BRD4 bromodomain 1 using H4Ac4 peptide by amplified luminescent proximity homogeneous assay


J Med Chem 56: 3217-27 (2013)


Article DOI: 10.1021/jm301588r
BindingDB Entry DOI: 10.7270/Q2B859GC
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50273626
PNG
(CHEMBL4126542)
Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)C1CC1
Show InChI InChI=1S/C15H17NO3/c1-8-14(9(2)19-16-8)11-5-12(7-13(17)6-11)15(18)10-3-4-10/h5-7,10,15,17-18H,3-4H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 377n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...


Bioorg Med Chem 26: 2937-2957 (2018)


Article DOI: 10.1016/j.bmc.2018.05.003
BindingDB Entry DOI: 10.7270/Q2Z89FXZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50273649
PNG
(CHEMBL2335143)
Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1ccccc1
Show InChI InChI=1S/C18H17NO3/c1-11-17(12(2)22-19-11)14-8-15(10-16(20)9-14)18(21)13-6-4-3-5-7-13/h3-10,18,20-21H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 380n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...


Bioorg Med Chem 26: 2937-2957 (2018)


Article DOI: 10.1016/j.bmc.2018.05.003
BindingDB Entry DOI: 10.7270/Q2Z89FXZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50273626
PNG
(CHEMBL4126542)
Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)C1CC1
Show InChI InChI=1S/C15H17NO3/c1-8-14(9(2)19-16-8)11-5-12(7-13(17)6-11)15(18)10-3-4-10/h5-7,10,15,17-18H,3-4H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 380n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...


Bioorg Med Chem 26: 2937-2957 (2018)


Article DOI: 10.1016/j.bmc.2018.05.003
BindingDB Entry DOI: 10.7270/Q2Z89FXZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50430837
PNG
(CHEMBL2335154)
Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)[C@@H](O)c1ccccc1 |r|
Show InChI InChI=1S/C18H17NO3/c1-11-17(12(2)22-19-11)14-8-15(10-16(20)9-14)18(21)13-6-4-3-5-7-13/h3-10,18,20-21H,1-2H3/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 382n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity to human BRD4 bromodomain 1 using H4Ac4 peptide by amplified luminescent proximity homogeneous assay


J Med Chem 56: 3217-27 (2013)


Article DOI: 10.1021/jm301588r
BindingDB Entry DOI: 10.7270/Q2B859GC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Displayed 1 to 50 (of 336 total )  |  Next  |  Last  >>
Jump to: