BindingDB logo
myBDB logout

PubMed code 27617704

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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
Protein polybromo-1


(Homo sapiens (Human))
BDBM50198438
PNG
(CHEMBL3904183)
Show SMILES CCCc1[nH]nc2oc(=O)c3ccccc3c12
Show InChI InChI=1S/C13H12N2O2/c1-2-5-10-11-8-6-3-4-7-9(8)13(16)17-12(11)15-14-10/h3-4,6-7H,2,5H2,1H3,(H,14,15)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 3.30E+3n/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal his6-tagged human PB1 bromodomain 5 expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 at 15 uM by ITC method


J Med Chem 59: 8787-8803 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00355
BindingDB Entry DOI: 10.7270/Q2CV4KQM
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50198448
PNG
(CHEMBL3966713)
Show SMILES CCc1[nH]nc2oc(=O)c3ccccc3c12
Show InChI InChI=1S/C12H10N2O2/c1-2-9-10-7-5-3-4-6-8(7)12(15)16-11(10)14-13-9/h3-6H,2H2,1H3,(H,13,14)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



University of Athens

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal his6-tagged human PB1 bromodomain 5 expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 at 15 uM by ITC method


J Med Chem 59: 8787-8803 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00355
BindingDB Entry DOI: 10.7270/Q2CV4KQM
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50198440
PNG
(CHEMBL3945847)
Show SMILES COc1ccc(cc1)C(C(CC#N)CC#N)c1ccccc1
Show InChI InChI=1S/C19H18N2O/c1-22-18-9-7-16(8-10-18)19(15-5-3-2-4-6-15)17(11-13-20)12-14-21/h2-10,17,19H,11-12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.15E+4n/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal his6-tagged human PB1 bromodomain 5 expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 at 15 uM by ITC method


J Med Chem 59: 8787-8803 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00355
BindingDB Entry DOI: 10.7270/Q2CV4KQM
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50198449
PNG
(CHEMBL3936967)
Show SMILES Cc1[nH]nc2oc(=O)c3ccccc3c12
Show InChI InChI=1S/C11H8N2O2/c1-6-9-7-4-2-3-5-8(7)11(14)15-10(9)13-12-6/h2-5H,1H3,(H,12,13)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 3.30E+3n/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal his6-tagged human PB1 bromodomain 5 expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 at 15 uM by ITC method


J Med Chem 59: 8787-8803 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00355
BindingDB Entry DOI: 10.7270/Q2CV4KQM
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50198450
PNG
(CHEMBL3927964)
Show SMILES CCCCc1[nH]nc2oc(=O)c3ccccc3c12
Show InChI InChI=1S/C14H14N2O2/c1-2-3-8-11-12-9-6-4-5-7-10(9)14(17)18-13(12)16-15-11/h4-7H,2-3,8H2,1H3,(H,15,16)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 5.10E+3n/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal his6-tagged human PB1 bromodomain 5 expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 at 15 uM by ITC method


J Med Chem 59: 8787-8803 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00355
BindingDB Entry DOI: 10.7270/Q2CV4KQM
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50198451
PNG
(CHEMBL1491707)
Show SMILES Cc1nnc2ccc3ccccc3n12
Show InChI InChI=1S/C11H9N3/c1-8-12-13-11-7-6-9-4-2-3-5-10(9)14(8)11/h2-7H,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

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



University of Athens

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal his6-tagged human PB1 bromodomain 5 expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 at 15 uM by ITC method


J Med Chem 59: 8787-8803 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00355
BindingDB Entry DOI: 10.7270/Q2CV4KQM
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/an/a 1.29E+4n/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal his6-tagged human PB1 bromodomain 5 expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 at 15 uM by ITC method


J Med Chem 59: 8787-8803 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00355
BindingDB Entry DOI: 10.7270/Q2CV4KQM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein polybromo-1


(Homo sapiens (Human))
BDBM50198447
PNG
(CHEMBL3899245)
Show SMILES Oc1ccccc1C(=O)\C=C\N1CC2CC1CN2c1ccccn1 |TLB:18:17:14:11.12,10:11:17.16:14|
Show InChI InChI=1S/C19H19N3O2/c23-17-6-2-1-5-16(17)18(24)8-10-21-12-15-11-14(21)13-22(15)19-7-3-4-9-20-19/h1-10,14-15,23H,11-13H2/b10-8+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 43n/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal his6-tagged human PB1 bromodomain 5 expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 at 15 uM by ITC method


J Med Chem 59: 8787-8803 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00355
BindingDB Entry DOI: 10.7270/Q2CV4KQM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%