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Target
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IC50
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EC50
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ΔH°
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null
SMILES:
Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(cc2)C(F)(F)F)c1
InChI Key:
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
4
hits for monomerid = 50584390
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Bromodomain-containing protein 4
(Homo sapiens (Human))
BDBM50584390
(CHEMBL5085763)
Show SMILES
Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(cc2)C(F)(F)F)c1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
310
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI:
10.7270/Q28056H6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4
(Homo sapiens (Human))
BDBM50584390
(CHEMBL5085763)
Show SMILES
Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(cc2)C(F)(F)F)c1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
310
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01835
BindingDB Entry DOI:
10.7270/Q2V98D2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14
(Homo sapiens (Human))
BDBM50584390
(CHEMBL5085763)
Show SMILES
Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(cc2)C(F)(F)F)c1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
260
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to wild-type human full length p38-alpha (M1 to S360 residues) expressed in bacterial expression system by Kinomescan method
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI:
10.7270/Q28056H6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4
(Homo sapiens (Human))
BDBM50584390
(CHEMBL5085763)
Show SMILES
Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(cc2)C(F)(F)F)c1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
640
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of BRD4 D1 (unknown origin) by alphascreen assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI:
10.7270/Q28056H6
More data for this
Ligand-Target Pair
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