BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 22 hits with Last Name = 'lin-shiao' and Initial = 'e'   
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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 303n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human BRD4 bromodomain 2 by isothermal titration calorimetry


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50148604
PNG
(CHEMBL3770576)
Show SMILES COC(=O)CC1N=C(c2cc(OC)ccc2-n2c(C)nnc12)c1cccc2[nH]ccc12
Show InChI InChI=1S/C23H21N5O3/c1-13-26-27-23-19(12-21(29)31-3)25-22(16-5-4-6-18-15(16)9-10-24-18)17-11-14(30-2)7-8-20(17)28(13)23/h4-11,19,24H,12H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a 780n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged BRD2 bromodomain 1 (unknown origin) expressed in competent Escherichia coli BL21(DE3) cells by isothermal ...


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a 206n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human BRD2 bromodomain 2 by isothermal titration calorimetry


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a 1.69E+4n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human BRD2 bromodomain 1 by isothermal titration calorimetry


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 140n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human BRD4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) cells by isothermal titration calorimetry


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 1.10E+3n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human BRD4 bromodomain 1 expressed in Escherichia coli BL21 (DE3) cells by isothermal titration calorimetry


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a 250n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human BRD2 bromodomain 2 expressed in Escherichia coli BL21 (DE3) cells by isothermal titration calorimetry


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a 5.80E+3n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human BRD2 bromodomain 1 expressed in Escherichia coli BL21 (DE3) cells by isothermal titration calorimetry


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50148603
PNG
(CHEMBL3770724)
Show SMILES CC(=O)NCCCCn1c2CCNC(=O)c2c2ccccc12
Show InChI InChI=1S/C17H21N3O2/c1-12(21)18-9-4-5-11-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)22/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,21)(H,19,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a>3.00E+5n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to recombinant poly-His-tagged BRD4 bromodomain 2 (unknown origin) by isothermal titration calorimetry


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50148603
PNG
(CHEMBL3770724)
Show SMILES CC(=O)NCCCCn1c2CCNC(=O)c2c2ccccc12
Show InChI InChI=1S/C17H21N3O2/c1-12(21)18-9-4-5-11-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)22/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,21)(H,19,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 3.40E+3n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to recombinant poly-His-tagged BRD4 bromodomain 1 (unknown origin) by isothermal titration calorimetry


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50148603
PNG
(CHEMBL3770724)
Show SMILES CC(=O)NCCCCn1c2CCNC(=O)c2c2ccccc12
Show InChI InChI=1S/C17H21N3O2/c1-12(21)18-9-4-5-11-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)22/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,21)(H,19,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a>3.00E+5n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to recombinant poly-His-tagged BRD2 bromodomain 2 (unknown origin) by isothermal titration calorimetry


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50148603
PNG
(CHEMBL3770724)
Show SMILES CC(=O)NCCCCn1c2CCNC(=O)c2c2ccccc12
Show InChI InChI=1S/C17H21N3O2/c1-12(21)18-9-4-5-11-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)22/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,21)(H,19,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a 8.60E+3n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to recombinant poly-His-tagged BRD2 bromodomain 1 (unknown origin) by isothermal titration calorimetry


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365463
PNG
(CHEMBL1232461)
Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12
Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 65n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged-BRD4 bromodomain 2 (unknown origin) expressed in competent Escherichia coli BL21(DE3) cells by isothermal ...


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365463
PNG
(CHEMBL1232461)
Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12
Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 95n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged-BRD4 bromodomain 1 (unknown origin) expressed in competent Escherichia coli BL21(DE3) cells by isothermal ...


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50365463
PNG
(CHEMBL1232461)
Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12
Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a 100n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to full length N-terminal His6-tagged-BRD2 bromodomain 2 (unknown origin) expressed in competent Escherichia coli BL21(DE3) cells by...


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50365463
PNG
(CHEMBL1232461)
Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12
Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a 230n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to full length N-terminal His6-tagged-BRD2 bromodomain 1 (unknown origin) expressed in competent Escherichia coli BL21(DE3) cells by...


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50148604
PNG
(CHEMBL3770576)
Show SMILES COC(=O)CC1N=C(c2cc(OC)ccc2-n2c(C)nnc12)c1cccc2[nH]ccc12
Show InChI InChI=1S/C23H21N5O3/c1-13-26-27-23-19(12-21(29)31-3)25-22(16-5-4-6-18-15(16)9-10-24-18)17-11-14(30-2)7-8-20(17)28(13)23/h4-11,19,24H,12H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a 50n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged BRD4 bromodomain 2 (unknown origin) expressed in competent Escherichia coli BL21(DE3) cells by isothermal ...


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50148604
PNG
(CHEMBL3770576)
Show SMILES COC(=O)CC1N=C(c2cc(OC)ccc2-n2c(C)nnc12)c1cccc2[nH]ccc12
Show InChI InChI=1S/C23H21N5O3/c1-13-26-27-23-19(12-21(29)31-3)25-22(16-5-4-6-18-15(16)9-10-24-18)17-11-14(30-2)7-8-20(17)28(13)23/h4-11,19,24H,12H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a 520n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged BRD4 bromodomain 1 (unknown origin) expressed in competent Escherichia coli BL21(DE3) cells by isothermal ...


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50148604
PNG
(CHEMBL3770576)
Show SMILES COC(=O)CC1N=C(c2cc(OC)ccc2-n2c(C)nnc12)c1cccc2[nH]ccc12
Show InChI InChI=1S/C23H21N5O3/c1-13-26-27-23-19(12-21(29)31-3)25-22(16-5-4-6-18-15(16)9-10-24-18)17-11-14(30-2)7-8-20(17)28(13)23/h4-11,19,24H,12H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a 45n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged BRD2 bromodomain 2 (unknown origin) expressed in competent Escherichia coli BL21(DE3) cells by isothermal ...


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50148605
PNG
(CHEMBL3769729)
Show SMILES COC(=O)[C@H](C)[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12
Show InChI InChI=1S/C22H21ClN4O3/c1-12(22(28)30-4)19-21-26-25-13(2)27(21)18-10-9-16(29-3)11-17(18)20(24-19)14-5-7-15(23)8-6-14/h5-12,19H,1-4H3/t12-,19+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a 300n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged BRD2 bromodomain 2 (unknown origin) expressed in competent Escherichia coli BL21(DE3) cells by isothermal ...


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50148605
PNG
(CHEMBL3769729)
Show SMILES COC(=O)[C@H](C)[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12
Show InChI InChI=1S/C22H21ClN4O3/c1-12(22(28)30-4)19-21-26-25-13(2)27(21)18-10-9-16(29-3)11-17(18)20(24-19)14-5-7-15(23)8-6-14/h5-12,19H,1-4H3/t12-,19+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a 1.47E+3n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged BRD2 bromodomain 1 (unknown origin) expressed in competent Escherichia coli BL21(DE3) cells by isothermal ...


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 8.93E+3n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human BRD4 bromodomain 1 by isothermal titration calorimetry


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)