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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Protein polybromo-1' and Ligand = 'BDBM50184981'   
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))
BDBM50184981
PNG
(CHEMBL3823055)
Show SMILES CCC(CC)\C=C1/CCn2c1nc(=O)c1c(Cl)cccc21
Show InChI InChI=1S/C17H19ClN2O/c1-3-11(4-2)10-12-8-9-20-14-7-5-6-13(18)15(14)17(21)19-16(12)20/h5-7,10-11H,3-4,8-9H2,1-2H3/b12-10+
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
MCE
PC cid
PC sid
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Article
PubMed
n/an/a 200n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50184981
PNG
(CHEMBL3823055)
Show SMILES CCC(CC)\C=C1/CCn2c1nc(=O)c1c(Cl)cccc21
Show InChI InChI=1S/C17H19ClN2O/c1-3-11(4-2)10-12-8-9-20-14-7-5-6-13(18)15(14)17(21)19-16(12)20/h5-7,10-11H,3-4,8-9H2,1-2H3/b12-10+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 350n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50184981
PNG
(CHEMBL3823055)
Show SMILES CCC(CC)\C=C1/CCn2c1nc(=O)c1c(Cl)cccc21
Show InChI InChI=1S/C17H19ClN2O/c1-3-11(4-2)10-12-8-9-20-14-7-5-6-13(18)15(14)17(21)19-16(12)20/h5-7,10-11H,3-4,8-9H2,1-2H3/b12-10+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 700n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50184981
PNG
(CHEMBL3823055)
Show SMILES CCC(CC)\C=C1/CCn2c1nc(=O)c1c(Cl)cccc21
Show InChI InChI=1S/C17H19ClN2O/c1-3-11(4-2)10-12-8-9-20-14-7-5-6-13(18)15(14)17(21)19-16(12)20/h5-7,10-11H,3-4,8-9H2,1-2H3/b12-10+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 170n/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged human recombinant PB1 bromodomain isoform 5 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by VP-ITC microca...


J Med Chem 59: 5095-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01997
BindingDB Entry DOI: 10.7270/Q22R3TKH
More data for this
Ligand-Target Pair