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SMILES: COC(=O)N1[C@@H](C)CCc2c1ccc1n(C3CCC[C@H](C3)C(O)=O)c(nc21)[C@@H](O)c1cc(F)cc2cn[nH]c12

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 2 hits for monomerid = 547156   
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))
BDBM547156
PNG
(US11292791, Example 429)
Show SMILES COC(=O)N1[C@@H](C)CCc2c1ccc1n(C3CCC[C@H](C3)C(O)=O)c(nc21)[C@@H](O)c1cc(F)cc2cn[nH]c12 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a


TBA

Assay Description
The assay was performed in a final volume of 6 μL in assay buffer containing 50 mM Hepes (pH 7.5, (0.5M Hepes, pH 7.5 solution; Teknova H1575)),...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SQM
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM547156
PNG
(US11292791, Example 429)
Show SMILES COC(=O)N1[C@@H](C)CCc2c1ccc1n(C3CCC[C@H](C3)C(O)=O)c(nc21)[C@@H](O)c1cc(F)cc2cn[nH]c12 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a


TBA

Assay Description
The assay was performed in a final volume of 6 μL in assay buffer containing 50 mM Hepes (pH 7.5, (0.5M Hepes, pH 7.5 solution; Teknova H1575)),...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SQM
More data for this
Ligand-Target Pair