BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 468 hits with Last Name = 'jousset' and Initial = 'h'   
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
Plasmepsin V


(Plasmodium falciparum (isolate 3D7))
BDBM50500851
PNG
(CHEMBL3780033)
Show SMILES OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCONC(N)=N)NC(=O)OCc1ccccc1)C(C)C)[C@@H](O)CC(=O)NCCc1ccccc1 |r|
Show InChI InChI=1S/C34H51N7O7.C2HF3O2/c1-22(2)19-27(28(42)20-29(43)37-17-15-24-11-7-5-8-12-24)38-32(45)30(23(3)4)40-31(44)26(16-18-48-41-33(35)36)39-34(46)47-21-25-13-9-6-10-14-25;3-2(4,5)1(6)7/h5-14,22-23,26-28,30,42H,15-21H2,1-4H3,(H,37,43)(H,38,45)(H,39,46)(H,40,44)(H4,35,36,41);(H,6,7)/t26-,27-,28-,30-;/m0./s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



The University of Melbourne

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PMV assessed as fluorogenic substrate cleavage using DABCYL-RNKRTLAQKQ-E-EDANS as fluorogenic substrate after 120...


Bioorg Med Chem 24: 1993-2010 (2016)


Article DOI: 10.1016/j.bmc.2016.03.027
BindingDB Entry DOI: 10.7270/Q21R6THF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM313798
PNG
(US10167292, Example 42)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(N)=O
Show InChI InChI=1S/C18H16ClN5O/c1-11-17-15-7-2-12(18(20)25)10-16(15)23(8-9-24(17)22-21-11)14-5-3-13(19)4-6-14/h2-7,10H,8-9H2,1H3,(H2,20,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM313807
PNG
(US10167292, Example 51B)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1nn[nH]n1
Show InChI InChI=1S/C18H15ClN8/c1-11-17-15-7-2-12(18-21-23-24-22-18)10-16(15)26(8-9-27(17)25-20-11)14-5-3-13(19)4-6-14/h2-7,10H,8-9H2,1H3,(H,21,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM313807
PNG
(US10167292, Example 51B)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1nn[nH]n1
Show InChI InChI=1S/C18H15ClN8/c1-11-17-15-7-2-12(18-21-23-24-22-18)10-16(15)26(8-9-27(17)25-20-11)14-5-3-13(19)4-6-14/h2-7,10H,8-9H2,1H3,(H,21,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd4 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM313791
PNG
(US10167292, Example 35)
Show SMILES C[C@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1)c1ccccc1 |r|
Show InChI InChI=1S/C26H24ClN5O/c1-17(19-6-4-3-5-7-19)28-26(33)20-8-13-23-24(16-20)31(22-11-9-21(27)10-12-22)14-15-32-25(23)18(2)29-30-32/h3-13,16-17H,14-15H2,1-2H3,(H,28,33)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd2 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM313789
PNG
(US10167292, Example 33)
Show SMILES C[C@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H23ClFN5O/c1-16(18-3-8-21(28)9-4-18)29-26(34)19-5-12-23-24(15-19)32(22-10-6-20(27)7-11-22)13-14-33-25(23)17(2)30-31-33/h3-12,15-16H,13-14H2,1-2H3,(H,29,34)/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd2 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778]


(Homo sapiens)
BDBM50527224
PNG
(CHEMBL4468833 | US10829446, Compound 48)
Show SMILES COc1cc(cc(c1)-c1ccccn1)C(=O)NNS(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C19H16FN3O4S/c1-27-15-11-13(17-7-4-5-9-21-17)10-14(12-15)19(24)22-23-28(25,26)18-8-3-2-6-16(18)20/h2-12,23H,1H3,(H,22,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...


J Med Chem 63: 4655-4684 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02071
BindingDB Entry DOI: 10.7270/Q2W66Q7V
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778]


(Homo sapiens)
BDBM50527244
PNG
(CHEMBL4437798 | US10829446, Compound 105)
Show SMILES Fc1ccccc1S(=O)(=O)NNC(=O)c1cc(Cl)cc(c1)-c1ccco1
Show InChI InChI=1S/C17H12ClFN2O4S/c18-13-9-11(15-5-3-7-25-15)8-12(10-13)17(22)20-21-26(23,24)16-6-2-1-4-14(16)19/h1-10,21H,(H,20,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.5n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...


J Med Chem 63: 4655-4684 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02071
BindingDB Entry DOI: 10.7270/Q2W66Q7V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM313791
PNG
(US10167292, Example 35)
Show SMILES C[C@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1)c1ccccc1 |r|
Show InChI InChI=1S/C26H24ClN5O/c1-17(19-6-4-3-5-7-19)28-26(33)20-8-13-23-24(16-20)31(22-11-9-21(27)10-12-22)14-15-32-25(23)18(2)29-30-32/h3-13,16-17H,14-15H2,1-2H3,(H,28,33)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM313798
PNG
(US10167292, Example 42)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(N)=O
Show InChI InChI=1S/C18H16ClN5O/c1-11-17-15-7-2-12(18(20)25)10-16(15)23(8-9-24(17)22-21-11)14-5-3-13(19)4-6-14/h2-7,10H,8-9H2,1H3,(H2,20,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd4 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778]


(Homo sapiens)
BDBM50527381
PNG
(CHEMBL4466823 | US10829446, Compound 41)
Show SMILES Fc1ccccc1S(=O)(=O)NNC(=O)c1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C18H14FN3O3S/c19-15-8-1-2-10-17(15)26(24,25)22-21-18(23)14-7-5-6-13(12-14)16-9-3-4-11-20-16/h1-12,22H,(H,21,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...


J Med Chem 63: 4655-4684 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02071
BindingDB Entry DOI: 10.7270/Q2W66Q7V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM313774
PNG
(US10167292, Example 8)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1ccc(N)nc1
Show InChI InChI=1S/C22H19ClN6/c1-14-22-19-8-2-15(16-3-9-21(24)25-13-16)12-20(19)28(10-11-29(22)27-26-14)18-6-4-17(23)5-7-18/h2-9,12-13H,10-11H2,1H3,(H2,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM313807
PNG
(US10167292, Example 51B)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1nn[nH]n1
Show InChI InChI=1S/C18H15ClN8/c1-11-17-15-7-2-12(18-21-23-24-22-18)10-16(15)26(8-9-27(17)25-20-11)14-5-3-13(19)4-6-14/h2-7,10H,8-9H2,1H3,(H,21,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd2 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778]


(Homo sapiens)
BDBM50527355
PNG
(CHEMBL4456585 | US10829446, Compound 46)
Show SMILES Fc1cc(cc(c1)-c1ccccn1)C(=O)NNS(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C18H13F2N3O3S/c19-14-10-12(16-6-3-4-8-21-16)9-13(11-14)18(24)22-23-27(25,26)17-7-2-1-5-15(17)20/h1-11,23H,(H,22,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 6.30n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...


J Med Chem 63: 4655-4684 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02071
BindingDB Entry DOI: 10.7270/Q2W66Q7V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM313775
PNG
(US10167292, Example 10)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1cc[nH]n1
Show InChI InChI=1S/C20H17ClN6/c1-13-20-17-7-2-14(18-8-9-22-24-18)12-19(17)26(10-11-27(20)25-23-13)16-5-3-15(21)4-6-16/h2-9,12H,10-11H2,1H3,(H,22,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM313807
PNG
(US10167292, Example 51B)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1nn[nH]n1
Show InChI InChI=1S/C18H15ClN8/c1-11-17-15-7-2-12(18-21-23-24-22-18)10-16(15)26(8-9-27(17)25-20-11)14-5-3-13(19)4-6-14/h2-7,10H,8-9H2,1H3,(H,21,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd2 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM313779
PNG
(US10167292, Example 16)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2ccccc2-c2c(C)nnn12 |r|
Show InChI InChI=1S/C18H17ClN4/c1-12-11-22(15-9-7-14(19)8-10-15)17-6-4-3-5-16(17)18-13(2)20-21-23(12)18/h3-10,12H,11H2,1-2H3/t12-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM313773
PNG
(US10167292, Example 7)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1ccc(C)nc1
Show InChI InChI=1S/C23H20ClN5/c1-15-3-4-18(14-25-15)17-5-10-21-22(13-17)28(20-8-6-19(24)7-9-20)11-12-29-23(21)16(2)26-27-29/h3-10,13-14H,11-12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778]


(Homo sapiens)
BDBM50527250
PNG
(CHEMBL4475883 | US10829446, Compound 67)
Show SMILES Cc1ccn(n1)-c1cc(C)cc(c1)C(=O)NNS(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C18H17FN4O3S/c1-12-9-14(11-15(10-12)23-8-7-13(2)21-23)18(24)20-22-27(25,26)17-6-4-3-5-16(17)19/h3-11,22H,1-2H3,(H,20,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...


J Med Chem 63: 4655-4684 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02071
BindingDB Entry DOI: 10.7270/Q2W66Q7V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM313797
PNG
(US10167292, Example 41)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NS(C)(=O)=O
Show InChI InChI=1S/C19H18ClN5O3S/c1-12-18-16-8-3-13(19(26)22-29(2,27)28)11-17(16)24(9-10-25(18)23-21-12)15-6-4-14(20)5-7-15/h3-8,11H,9-10H2,1-2H3,(H,22,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778]


(Homo sapiens)
BDBM50527238
PNG
(CHEMBL4539384 | US10829446, Compound 42)
Show SMILES Cc1cc(cc(c1)-c1ccccn1)C(=O)NNS(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C19H16FN3O3S/c1-13-10-14(17-7-4-5-9-21-17)12-15(11-13)19(24)22-23-27(25,26)18-8-3-2-6-16(18)20/h2-12,23H,1H3,(H,22,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...


J Med Chem 63: 4655-4684 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02071
BindingDB Entry DOI: 10.7270/Q2W66Q7V
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778]


(Homo sapiens)
BDBM50527245
PNG
(CHEMBL4521125 | US10829446, Compound 89)
Show SMILES Fc1cc(cc(c1)-n1nccn1)C(=O)NNS(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C15H11F2N5O3S/c16-11-7-10(8-12(9-11)22-18-5-6-19-22)15(23)20-21-26(24,25)14-4-2-1-3-13(14)17/h1-9,21H,(H,20,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...


J Med Chem 63: 4655-4684 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02071
BindingDB Entry DOI: 10.7270/Q2W66Q7V
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778]


(Homo sapiens)
BDBM50527328
PNG
(CHEMBL4441439 | US10829446, Compound 49)
Show SMILES Cc1cc(cc(c1)-c1ncccn1)C(=O)NNS(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C18H15FN4O3S/c1-12-9-13(17-20-7-4-8-21-17)11-14(10-12)18(24)22-23-27(25,26)16-6-3-2-5-15(16)19/h2-11,23H,1H3,(H,22,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...


J Med Chem 63: 4655-4684 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02071
BindingDB Entry DOI: 10.7270/Q2W66Q7V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM313774
PNG
(US10167292, Example 8)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1ccc(N)nc1
Show InChI InChI=1S/C22H19ClN6/c1-14-22-19-8-2-15(16-3-9-21(24)25-13-16)12-20(19)28(10-11-29(22)27-26-14)18-6-4-17(23)5-7-18/h2-9,12-13H,10-11H2,1H3,(H2,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd3 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778]


(Homo sapiens)
BDBM50527225
PNG
(CHEMBL4565790 | US10829446, Compound 101)
Show SMILES Fc1cc(cc(c1)-c1ccco1)C(=O)NNS(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C17H12F2N2O4S/c18-13-9-11(15-5-3-7-25-15)8-12(10-13)17(22)20-21-26(23,24)16-6-2-1-4-14(16)19/h1-10,21H,(H,20,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.40n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...


J Med Chem 63: 4655-4684 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02071
BindingDB Entry DOI: 10.7270/Q2W66Q7V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM313773
PNG
(US10167292, Example 7)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1ccc(C)nc1
Show InChI InChI=1S/C23H20ClN5/c1-15-3-4-18(14-25-15)17-5-10-21-22(13-17)28(20-8-6-19(24)7-9-20)11-12-29-23(21)16(2)26-27-29/h3-10,13-14H,11-12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd3 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM313796
PNG
(US10167292, Example 40)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H20ClN5O3S/c1-16-23-21-12-7-17(24(31)27-34(32,33)20-5-3-2-4-6-20)15-22(21)29(13-14-30(23)28-26-16)19-10-8-18(25)9-11-19/h2-12,15H,13-14H2,1H3,(H,27,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM313791
PNG
(US10167292, Example 35)
Show SMILES C[C@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1)c1ccccc1 |r|
Show InChI InChI=1S/C26H24ClN5O/c1-17(19-6-4-3-5-7-19)28-26(33)20-8-13-23-24(16-20)31(22-11-9-21(27)10-12-22)14-15-32-25(23)18(2)29-30-32/h3-13,16-17H,14-15H2,1-2H3,(H,28,33)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd4 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM313775
PNG
(US10167292, Example 10)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1cc[nH]n1
Show InChI InChI=1S/C20H17ClN6/c1-13-20-17-7-2-14(18-8-9-22-24-18)12-19(17)26(10-11-27(20)25-23-13)16-5-3-15(21)4-6-16/h2-9,12H,10-11H2,1H3,(H,22,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd3 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM313778
PNG
(US10167292, Example 13)
Show SMILES C[C@H]1CN(c2ccc(Cl)cc2)c2ccccc2-c2c(C)nnn12 |r|
Show InChI InChI=1S/C18H17ClN4/c1-12-11-22(15-9-7-14(19)8-10-15)17-6-4-3-5-16(17)18-13(2)20-21-23(12)18/h3-10,12H,11H2,1-2H3/t12-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778]


(Homo sapiens)
BDBM50527243
PNG
(CHEMBL4458272 | US10829446, Compound 153)
Show SMILES Cc1cc(cc(c1)-c1ccco1)C(=O)NNS(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C18H15FN2O4S/c1-12-9-13(16-6-4-8-25-16)11-14(10-12)18(22)20-21-26(23,24)17-7-3-2-5-15(17)19/h2-11,21H,1H3,(H,20,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...


J Med Chem 63: 4655-4684 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02071
BindingDB Entry DOI: 10.7270/Q2W66Q7V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM313803
PNG
(US10167292, Example 47)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C#N
Show InChI InChI=1S/C18H14ClN5/c1-12-18-16-7-2-13(11-20)10-17(16)23(8-9-24(18)22-21-12)15-5-3-14(19)4-6-15/h2-7,10H,8-9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd4 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM313779
PNG
(US10167292, Example 16)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2ccccc2-c2c(C)nnn12 |r|
Show InChI InChI=1S/C18H17ClN4/c1-12-11-22(15-9-7-14(19)8-10-15)17-6-4-3-5-16(17)18-13(2)20-21-23(12)18/h3-10,12H,11H2,1-2H3/t12-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd3 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
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 12n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM313771
PNG
(US10167292, Example 5)
Show SMILES Cc1nnn2CCN(c3ccccc3)c3ccccc3-c12
Show InChI InChI=1S/C17H16N4/c1-13-17-15-9-5-6-10-16(15)20(11-12-21(17)19-18-13)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM313791
PNG
(US10167292, Example 35)
Show SMILES C[C@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1)c1ccccc1 |r|
Show InChI InChI=1S/C26H24ClN5O/c1-17(19-6-4-3-5-7-19)28-26(33)20-8-13-23-24(16-20)31(22-11-9-21(27)10-12-22)14-15-32-25(23)18(2)29-30-32/h3-13,16-17H,14-15H2,1-2H3,(H,28,33)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd3 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM313777
PNG
(US10167292, Example 12)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1cnc(N)nc1
Show InChI InChI=1S/C21H18ClN7/c1-13-20-18-7-2-14(15-11-24-21(23)25-12-15)10-19(18)28(8-9-29(20)27-26-13)17-5-3-16(22)4-6-17/h2-7,10-12H,8-9H2,1H3,(H2,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778]


(Homo sapiens)
BDBM50527246
PNG
(CHEMBL4445473 | US10829446, Compound 84)
Show SMILES Cc1ccnn1-c1cc(C)cc(c1)C(=O)NNS(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C18H17FN4O3S/c1-12-9-14(11-15(10-12)23-13(2)7-8-20-23)18(24)21-22-27(25,26)17-6-4-3-5-16(17)19/h3-11,22H,1-2H3,(H,21,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...


J Med Chem 63: 4655-4684 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02071
BindingDB Entry DOI: 10.7270/Q2W66Q7V
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778]


(Homo sapiens)
BDBM50527263
PNG
(CHEMBL4465716 | US10829446, Compound 63)
Show SMILES COc1cc(cc(c1)-n1cccn1)C(=O)NNS(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C17H15FN4O4S/c1-26-14-10-12(9-13(11-14)22-8-4-7-19-22)17(23)20-21-27(24,25)16-6-3-2-5-15(16)18/h2-11,21H,1H3,(H,20,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...


J Med Chem 63: 4655-4684 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02071
BindingDB Entry DOI: 10.7270/Q2W66Q7V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM313778
PNG
(US10167292, Example 13)
Show SMILES C[C@H]1CN(c2ccc(Cl)cc2)c2ccccc2-c2c(C)nnn12 |r|
Show InChI InChI=1S/C18H17ClN4/c1-12-11-22(15-9-7-14(19)8-10-15)17-6-4-3-5-16(17)18-13(2)20-21-23(12)18/h3-10,12H,11H2,1-2H3/t12-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd3 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM313803
PNG
(US10167292, Example 47)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C#N
Show InChI InChI=1S/C18H14ClN5/c1-12-18-16-7-2-13(11-20)10-17(16)23(8-9-24(18)22-21-12)15-5-3-14(19)4-6-15/h2-7,10H,8-9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM313795
PNG
(US10167292, Example 39)
Show SMILES C[C@@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1)c1ccccc1 |r|
Show InChI InChI=1S/C26H24ClN5O/c1-17(19-6-4-3-5-7-19)28-26(33)20-8-13-23-24(16-20)31(22-11-9-21(27)10-12-22)14-15-32-25(23)18(2)29-30-32/h3-13,16-17H,14-15H2,1-2H3,(H,28,33)/t17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd3 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM313792
PNG
(US10167292, Example 36)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H20ClN5O/c1-16-23-21-12-7-17(24(31)26-19-5-3-2-4-6-19)15-22(21)29(13-14-30(23)28-27-16)20-10-8-18(25)9-11-20/h2-12,15H,13-14H2,1H3,(H,26,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM313774
PNG
(US10167292, Example 8)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1ccc(N)nc1
Show InChI InChI=1S/C22H19ClN6/c1-14-22-19-8-2-15(16-3-9-21(24)25-13-16)12-20(19)28(10-11-29(22)27-26-14)18-6-4-17(23)5-7-18/h2-9,12-13H,10-11H2,1H3,(H2,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd4 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM313797
PNG
(US10167292, Example 41)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NS(C)(=O)=O
Show InChI InChI=1S/C19H18ClN5O3S/c1-12-18-16-8-3-13(19(26)22-29(2,27)28)11-17(16)24(9-10-25(18)23-21-12)15-6-4-14(20)5-7-15/h3-8,11H,9-10H2,1-2H3,(H,22,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd4 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM313795
PNG
(US10167292, Example 39)
Show SMILES C[C@@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1)c1ccccc1 |r|
Show InChI InChI=1S/C26H24ClN5O/c1-17(19-6-4-3-5-7-19)28-26(33)20-8-13-23-24(16-20)31(22-11-9-21(27)10-12-22)14-15-32-25(23)18(2)29-30-32/h3-13,16-17H,14-15H2,1-2H3,(H,28,33)/t17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778]


(Homo sapiens)
BDBM50527240
PNG
(CHEMBL4541948 | US10829446, Compound 124)
Show SMILES Fc1ccccc1S(=O)(=O)NNC(=O)c1cccc(c1)-c1ccsc1
Show InChI InChI=1S/C17H13FN2O3S2/c18-15-6-1-2-7-16(15)25(22,23)20-19-17(21)13-5-3-4-12(10-13)14-8-9-24-11-14/h1-11,20H,(H,19,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...


J Med Chem 63: 4655-4684 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02071
BindingDB Entry DOI: 10.7270/Q2W66Q7V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM313792
PNG
(US10167292, Example 36)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H20ClN5O/c1-16-23-21-12-7-17(24(31)26-19-5-3-2-4-6-19)15-22(21)29(13-14-30(23)28-27-16)20-10-8-18(25)9-11-20/h2-12,15H,13-14H2,1H3,(H,26,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd3 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM313775
PNG
(US10167292, Example 10)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1cc[nH]n1
Show InChI InChI=1S/C20H17ClN6/c1-13-20-17-7-2-14(18-8-9-22-24-18)12-19(17)26(10-11-27(20)25-23-13)16-5-3-15(21)4-6-16/h2-9,12H,10-11H2,1H3,(H,22,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd4 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM313779
PNG
(US10167292, Example 16)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2ccccc2-c2c(C)nnn12 |r|
Show InChI InChI=1S/C18H17ClN4/c1-12-11-22(15-9-7-14(19)8-10-15)17-6-4-3-5-16(17)18-13(2)20-21-23(12)18/h3-10,12H,11H2,1-2H3/t12-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd4 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 468 total )  |  Next  |  Last  >>
Jump to: