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SMILES: Cc1[nH]c(cc1C(N)=O)-c1cc(NS(C)(=O)=O)ccc1Oc1ccc(F)cc1F

InChI Key: InChIKey=JFZJRGWCQQBHCT-UHFFFAOYSA-N

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 = 50256394   
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))
BDBM50256394
PNG
(CHEMBL4074891)
Show SMILES Cc1[nH]c(cc1C(N)=O)-c1cc(NS(C)(=O)=O)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C19H17F2N3O4S/c1-10-13(19(22)25)9-16(23-10)14-8-12(24-29(2,26)27)4-6-17(14)28-18-5-3-11(20)7-15(18)21/h3-9,23-24H,1-2H3,(H2,22,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
370n/an/an/an/an/an/an/an/a



AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged BRD4 BD1-BD2 (K57 to K550 residues) (unknown origin) after 1 hr by Alexa-647-conjugated probe based TR-FRET assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.057
BindingDB Entry DOI: 10.7270/Q20P12FJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50256394
PNG
(CHEMBL4074891)
Show SMILES Cc1[nH]c(cc1C(N)=O)-c1cc(NS(C)(=O)=O)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C19H17F2N3O4S/c1-10-13(19(22)25)9-16(23-10)14-8-12(24-29(2,26)27)4-6-17(14)28-18-5-3-11(20)7-15(18)21/h3-9,23-24H,1-2H3,(H2,22,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.30E+3n/an/an/an/a



AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged BRD4 BD1-BD2 (K57 to K550 residues) (unknown origin) after 1 hr by Alexa-647-conjugated probe based TR-FRET assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.057
BindingDB Entry DOI: 10.7270/Q20P12FJ
More data for this
Ligand-Target Pair