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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM50356436'   
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))
BDBM50356436
PNG
(CHEMBL1911584)
Show SMILES Clc1ccccc1CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C18H12ClN3OS/c19-15-9-5-4-8-13(15)11-24-18-21-16(12-6-2-1-3-7-12)14(10-20)17(23)22-18/h1-9H,11H2,(H,21,22,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.23E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114423
BindingDB Entry DOI: 10.7270/Q2S46WZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50356436
PNG
(CHEMBL1911584)
Show SMILES Clc1ccccc1CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C18H12ClN3OS/c19-15-9-5-4-8-13(15)11-24-18-21-16(12-6-2-1-3-7-12)14(10-20)17(23)22-18/h1-9H,11H2,(H,21,22,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.84E+5n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114423
BindingDB Entry DOI: 10.7270/Q2S46WZQ
More data for this
Ligand-Target Pair