BDBM50527569 CHEMBL4440098::US11427593, Compound ZB-BD-216

SMILES CCS(=O)(=O)Cc1cnc(Oc2ccc(F)cc2F)c(c1)-c1cc(C)c2n1cc[nH]c2=O

InChI Key InChIKey=UETQFSCWDMJWMM-UHFFFAOYSA-N

Data  11 IC50  5 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50527569   

TargetBromodomain-containing protein 4(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50527569(CHEMBL4440098 | US11427593, Compound ZB-BD-216)
Affinity DataIC50:  2.60nMAssay Description:Inhibition of SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHRKVGG-K-Biotin binding to N-terminal His6-tagged BRD4 bromodomain 1 (49 to 170 residues) (unk...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50527569(CHEMBL4440098 | US11427593, Compound ZB-BD-216)
Affinity DataIC50:  2.60nMAssay Description:Inhibition of N-terminal 6His-tagged human BRD4 BD1 (49 to 170 residues) expressed in Escherichia coli BL21 (DE3) using biotin-labeled H4 peptide as ...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetHistone acetyltransferase p300(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50527569(CHEMBL4440098 | US11427593, Compound ZB-BD-216)
Affinity DataIC50:  3.86E+3nMAssay Description:Inhibition of MSGRGK(Ac)-GGK(Ac)GLGK(Ac)GGAKRHR-biotin binding to EP300 (1040 to 1160 residues) (unknown origin) expressed in Escherichia coli BL21 (...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 2(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50527569(CHEMBL4440098 | US11427593, Compound ZB-BD-216)
Affinity DataKd:  1.30nMAssay Description:Binding affinity to human partial length BRD2 BD2 isoform 1 (E348 to D455 residues) expressed in bacterial expression system by bromoscan assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 3(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50527569(CHEMBL4440098 | US11427593, Compound ZB-BD-216)
Affinity DataKd:  1nMAssay Description:Binding affinity to human partial length BRD3 BD2 (G306 to P416 residues) expressed in bacterial expression system by bromoscan assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50527569(CHEMBL4440098 | US11427593, Compound ZB-BD-216)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 10 mins followed by NADPH addition and measured after 1...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50527569(CHEMBL4440098 | US11427593, Compound ZB-BD-216)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 10 mins followed by NADPH addition and measured aft...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50527569(CHEMBL4440098 | US11427593, Compound ZB-BD-216)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition and measured a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50527569(CHEMBL4440098 | US11427593, Compound ZB-BD-216)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 10 mins followed by NADPH addition and measured after...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50527569(CHEMBL4440098 | US11427593, Compound ZB-BD-216)
Affinity DataIC50:  2.20nMAssay Description:Inhibition of SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHRKVGG-K-Biotin binding to N-terminal His6-tagged BRD4 bromodomain 2 (344 to 455 residues) (un...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50527569(CHEMBL4440098 | US11427593, Compound ZB-BD-216)
Affinity DataKd:  3nMAssay Description:Binding affinity to human partial length BRD4 bromodomain 1 long isoform (N44 to E168 residues) expressed in bacterial expression system by BROMOscan...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain testis-specific protein(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50527569(CHEMBL4440098 | US11427593, Compound ZB-BD-216)
Affinity DataKd:  2.10nMAssay Description:Binding affinity to human partial length BRDT bromodomain 2 isoform b (K250 to E382 residues) expressed in bacterial expression system by bromoscan a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50527569(CHEMBL4440098 | US11427593, Compound ZB-BD-216)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate preincubated for 10 mins followed by NADPH addition and measured after ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50527569(CHEMBL4440098 | US11427593, Compound ZB-BD-216)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by NADPH addition and measured after 15...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4 [49-170](Homo sapiens (Human))
Shanghai Institute of Material Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM50527569(CHEMBL4440098 | US11427593, Compound ZB-BD-216)
Affinity DataIC50:  14.1nMAssay Description:AlphaScreen kit (Perkin Elmer) was used to detect effect of the compounds on binding of BRD4 bromodomain to acetylated histone H4 polypeptide. The br...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50527569(CHEMBL4440098 | US11427593, Compound ZB-BD-216)
Affinity DataKd:  1.60nMAssay Description:Binding affinity to human partial length BRD4 bromodomain 2 long isoform (K333 to E460 residues) expressed in bacterial expression system by BROMOsca...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed