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SMILES: [2H]C([2H])([2H])c1nnn(C)c1-c1cc2n([C@@H](CCC)c3ncccc3F)c3cc(cnc3c2cc1F)C(C)(C)O

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50579853   
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))
BDBM50579853
PNG
(CHEMBL5075294)
Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cc2n([C@@H](CCC)c3ncccc3F)c3cc(cnc3c2cc1F)C(C)(C)O |r,wD:14.18,(54.77,-34.94,;56.32,-34.94,;57.07,-36.27,;55.78,-36.06,;57.04,-33.58,;58.57,-33.38,;58.84,-31.86,;57.49,-31.13,;57.28,-29.61,;56.38,-32.2,;54.86,-31.93,;53.87,-33.1,;52.35,-32.82,;51.14,-33.77,;51.2,-35.31,;49.89,-36.12,;48.54,-35.4,;47.23,-36.21,;52.55,-36.03,;53.85,-35.22,;55.21,-35.93,;55.27,-37.48,;53.96,-38.3,;52.6,-37.57,;51.29,-38.38,;49.87,-32.9,;48.39,-33.26,;47.33,-32.16,;47.76,-30.69,;49.25,-30.33,;50.3,-31.44,;51.84,-31.37,;52.83,-30.2,;54.34,-30.47,;55.33,-29.29,;45.84,-32.53,;45.41,-34.01,;44.34,-32.93,;44.77,-31.42,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD4 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128376
BindingDB Entry DOI: 10.7270/Q2KS6WD7
More data for this
Ligand-Target Pair
Myc proto-oncogene protein


(Homo sapiens (Human))
BDBM50579853
PNG
(CHEMBL5075294)
Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cc2n([C@@H](CCC)c3ncccc3F)c3cc(cnc3c2cc1F)C(C)(C)O |r,wD:14.18,(54.77,-34.94,;56.32,-34.94,;57.07,-36.27,;55.78,-36.06,;57.04,-33.58,;58.57,-33.38,;58.84,-31.86,;57.49,-31.13,;57.28,-29.61,;56.38,-32.2,;54.86,-31.93,;53.87,-33.1,;52.35,-32.82,;51.14,-33.77,;51.2,-35.31,;49.89,-36.12,;48.54,-35.4,;47.23,-36.21,;52.55,-36.03,;53.85,-35.22,;55.21,-35.93,;55.27,-37.48,;53.96,-38.3,;52.6,-37.57,;51.29,-38.38,;49.87,-32.9,;48.39,-33.26,;47.33,-32.16,;47.76,-30.69,;49.25,-30.33,;50.3,-31.44,;51.84,-31.37,;52.83,-30.2,;54.34,-30.47,;55.33,-29.29,;45.84,-32.53,;45.41,-34.01,;44.34,-32.93,;44.77,-31.42,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-MYC (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128376
BindingDB Entry DOI: 10.7270/Q2KS6WD7
More data for this
Ligand-Target Pair