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BDBM50511849 CHEMBL4465299

SMILES: CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1N1CCc2cccc(C)c12)S(=O)(=O)CC

InChI Key: InChIKey=WUUAMMFOYHVBJM-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50511849   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50511849
PNG
(CHEMBL4465299)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1N1CCc2cccc(C)c12)S(=O)(=O)CC
Show InChI InChI=1S/C28H30N4O4S/c1-5-29-27(33)23-15-21-22(16-31(4)28(34)25(21)30-23)20-14-19(37(35,36)6-2)10-11-24(20)32-13-12-18-9-7-8-17(3)26(18)32/h7-11,14-16,30H,5-6,12-13H2,1-4H3,(H,29,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.5n/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
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50511849
PNG
(CHEMBL4465299)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1N1CCc2cccc(C)c12)S(=O)(=O)CC
Show InChI InChI=1S/C28H30N4O4S/c1-5-29-27(33)23-15-21-22(16-31(4)28(34)25(21)30-23)20-14-19(37(35,36)6-2)10-11-24(20)32-13-12-18-9-7-8-17(3)26(18)32/h7-11,14-16,30H,5-6,12-13H2,1-4H3,(H,29,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
9n/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
More data for this
Ligand-Target Pair