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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 3' and Ligand = 'BDBM50515771'   
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 3


(Homo sapiens (Human))
BDBM50515771
PNG
(CHEMBL4528047)
Show SMILES Cc1nnc2CC[C@@H](Nc3ccc(Cl)cc3)c3cc(ccc3-n12)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C22H21ClN6/c1-14-26-27-22-10-8-20(25-18-6-4-17(23)5-7-18)19-11-15(3-9-21(19)29(14)22)16-12-24-28(2)13-16/h3-7,9,11-13,20,25H,8,10H2,1-2H3/t20-/m1/s1
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5.30n/an/an/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant BRD3 BD2 (306 to 417 residues) by fluorescence polarization assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111633
BindingDB Entry DOI: 10.7270/Q2MK6H84
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50515771
PNG
(CHEMBL4528047)
Show SMILES Cc1nnc2CC[C@@H](Nc3ccc(Cl)cc3)c3cc(ccc3-n12)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C22H21ClN6/c1-14-26-27-22-10-8-20(25-18-6-4-17(23)5-7-18)19-11-15(3-9-21(19)29(14)22)16-12-24-28(2)13-16/h3-7,9,11-13,20,25H,8,10H2,1-2H3/t20-/m1/s1
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78n/an/an/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant BRD3 BD1 (24 to 144 residues) by fluorescence polarization assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111633
BindingDB Entry DOI: 10.7270/Q2MK6H84
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50515771
PNG
(CHEMBL4528047)
Show SMILES Cc1nnc2CC[C@@H](Nc3ccc(Cl)cc3)c3cc(ccc3-n12)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C22H21ClN6/c1-14-26-27-22-10-8-20(25-18-6-4-17(23)5-7-18)19-11-15(3-9-21(19)29(14)22)16-12-24-28(2)13-16/h3-7,9,11-13,20,25H,8,10H2,1-2H3/t20-/m1/s1
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PubMed
n/an/an/a 2.60n/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRD3 BD2 (G306 to P416 residues) expressed in bacterial expression system by bromoscan assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111633
BindingDB Entry DOI: 10.7270/Q2MK6H84
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50515771
PNG
(CHEMBL4528047)
Show SMILES Cc1nnc2CC[C@@H](Nc3ccc(Cl)cc3)c3cc(ccc3-n12)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C22H21ClN6/c1-14-26-27-22-10-8-20(25-18-6-4-17(23)5-7-18)19-11-15(3-9-21(19)29(14)22)16-12-24-28(2)13-16/h3-7,9,11-13,20,25H,8,10H2,1-2H3/t20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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MCE
PC cid
PC sid
PDB
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Article
PubMed
n/an/an/a 12n/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRD3 BD1 (P24 to E144 residues) expressed in bacterial expression system by bromoscan assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111633
BindingDB Entry DOI: 10.7270/Q2MK6H84
More data for this
Ligand-Target Pair