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SMILES: Cc1noc(C)c1-c1cc(-c2c(C)noc2C)c2cccnc2c1

InChI Key: InChIKey=FMFYPUWWJKSKRP-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

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 = 50508321   
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))
BDBM50508321
PNG
(CHEMBL4514160)
Show SMILES Cc1noc(C)c1-c1cc(-c2c(C)noc2C)c2cccnc2c1 |(81.02,-20.54,;79.55,-20.06,;79.07,-18.6,;77.53,-18.61,;77.06,-20.07,;75.6,-20.56,;78.31,-20.97,;78.32,-22.51,;79.65,-23.27,;79.66,-24.82,;80.99,-25.59,;81.16,-27.12,;80.02,-28.15,;82.66,-27.43,;83.43,-26.1,;82.4,-24.96,;82.72,-23.45,;78.32,-25.59,;78.33,-27.13,;77,-27.9,;75.66,-27.13,;75.66,-25.59,;76.99,-24.82,;76.99,-23.28,)|
Show InChI InChI=1S/C19H17N3O2/c1-10-18(12(3)23-21-10)14-8-16(19-11(2)22-24-13(19)4)15-6-5-7-20-17(15)9-14/h5-9H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.43E+3n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotin-labelled tetra-acetylated Histone H4 peptide binding to recombinant human N-terminal TEV-cleavable hexa-histidine tagged BRD4 br...


Bioorg Med Chem 27: 457-469 (2019)


Article DOI: 10.1016/j.bmc.2018.11.020
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50508321
PNG
(CHEMBL4514160)
Show SMILES Cc1noc(C)c1-c1cc(-c2c(C)noc2C)c2cccnc2c1 |(81.02,-20.54,;79.55,-20.06,;79.07,-18.6,;77.53,-18.61,;77.06,-20.07,;75.6,-20.56,;78.31,-20.97,;78.32,-22.51,;79.65,-23.27,;79.66,-24.82,;80.99,-25.59,;81.16,-27.12,;80.02,-28.15,;82.66,-27.43,;83.43,-26.1,;82.4,-24.96,;82.72,-23.45,;78.32,-25.59,;78.33,-27.13,;77,-27.9,;75.66,-27.13,;75.66,-25.59,;76.99,-24.82,;76.99,-23.28,)|
Show InChI InChI=1S/C19H17N3O2/c1-10-18(12(3)23-21-10)14-8-16(19-11(2)22-24-13(19)4)15-6-5-7-20-17(15)9-14/h5-9H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.42E+3n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotin-labelled tetra-acetylated Histone H4 peptide binding to recombinant human N-terminal TEV-cleavable hexa-histidine tagged BRD4 br...


Bioorg Med Chem 27: 457-469 (2019)


Article DOI: 10.1016/j.bmc.2018.11.020
More data for this
Ligand-Target Pair