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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 2' and Ligand = 'BDBM50520653'   
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 2


(Homo sapiens (Human))
BDBM50520653
PNG
(CHEMBL4555209)
Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1cnn(C)c1
Show InChI InChI=1S/C22H19N5OS/c1-15-24-25-21-14-28-13-19-18(10-16-6-4-3-5-7-16)20(29-22(19)27(15)21)9-8-17-11-23-26(2)12-17/h3-7,11-12H,10,13-14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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PC sid
UniChem
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PubMed
1.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human BRD2 BD1 (72 to 205 residues) by fluorescence polarization assay


J Med Chem 61: 6685-6704 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00506
BindingDB Entry DOI: 10.7270/Q27S7S54
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50520653
PNG
(CHEMBL4555209)
Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1cnn(C)c1
Show InChI InChI=1S/C22H19N5OS/c1-15-24-25-21-14-28-13-19-18(10-16-6-4-3-5-7-16)20(29-22(19)27(15)21)9-8-17-11-23-26(2)12-17/h3-7,11-12H,10,13-14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
8.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human BRD2 BD2 (349 to 460 residues) by fluorescence polarization assay


J Med Chem 61: 6685-6704 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00506
BindingDB Entry DOI: 10.7270/Q27S7S54
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50520653
PNG
(CHEMBL4555209)
Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1cnn(C)c1
Show InChI InChI=1S/C22H19N5OS/c1-15-24-25-21-14-28-13-19-18(10-16-6-4-3-5-7-16)20(29-22(19)27(15)21)9-8-17-11-23-26(2)12-17/h3-7,11-12H,10,13-14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human BRD2 BD1 (72 to 205 residues) by fluorescence polarization assay


J Med Chem 61: 6685-6704 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00506
BindingDB Entry DOI: 10.7270/Q27S7S54
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50520653
PNG
(CHEMBL4555209)
Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1cnn(C)c1
Show InChI InChI=1S/C22H19N5OS/c1-15-24-25-21-14-28-13-19-18(10-16-6-4-3-5-7-16)20(29-22(19)27(15)21)9-8-17-11-23-26(2)12-17/h3-7,11-12H,10,13-14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 41n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human BRD2 BD2 (349 to 460 residues) by fluorescence polarization assay


J Med Chem 61: 6685-6704 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00506
BindingDB Entry DOI: 10.7270/Q27S7S54
More data for this
Ligand-Target Pair