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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 = 'BDBM50511851'   
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))
BDBM50511851
PNG
(CHEMBL4590365)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1-n1ccc2ccccc12)S(=O)(=O)CC
Show InChI InChI=1S/C27H26N4O4S/c1-4-28-26(32)22-15-20-21(16-30(3)27(33)25(20)29-22)19-14-18(36(34,35)5-2)10-11-24(19)31-13-12-17-8-6-7-9-23(17)31/h6-16,29H,4-5H2,1-3H3,(H,28,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.80n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6 tagged BRD4 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay


J Med Chem 63: 5585-5623 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00628
BindingDB Entry DOI: 10.7270/Q2057K8M
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50511851
PNG
(CHEMBL4590365)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1-n1ccc2ccccc12)S(=O)(=O)CC
Show InChI InChI=1S/C27H26N4O4S/c1-4-28-26(32)22-15-20-21(16-30(3)27(33)25(20)29-22)19-14-18(36(34,35)5-2)10-11-24(19)31-13-12-17-8-6-7-9-23(17)31/h6-16,29H,4-5H2,1-3H3,(H,28,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
140n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6 tagged BRD4 BD1 (57 to 168) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay


J Med Chem 63: 5585-5623 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00628
BindingDB Entry DOI: 10.7270/Q2057K8M
More data for this
Ligand-Target Pair