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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'CREB-binding protein' and Ligand = 'BDBM547139'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
CREB-binding protein


(Homo sapiens (Human))
BDBM547139
PNG
(US11292791, Example 412)
Show SMILES COC(=O)N1[C@@H](C)CCc2c1ccc1n([C@H]3CC[C@@H](CC3)C(O)=O)c(Cc3ccc(OC(C)C)c(F)c3)nc21 |r,wU:5.5,18.22,wD:15.15,(-6.09,-8.3,;-6.09,-6.76,;-4.76,-5.99,;-3.42,-6.76,;-4.76,-4.45,;-6.09,-3.68,;-7.43,-4.45,;-6.09,-2.14,;-4.76,-1.37,;-3.42,-2.14,;-3.42,-3.68,;-2.09,-4.45,;-.76,-3.68,;-.76,-2.14,;.39,-1.11,;1.87,-1.51,;2.27,-3,;3.76,-3.39,;4.85,-2.3,;4.45,-.82,;2.96,-.42,;6.34,-2.7,;7.43,-1.61,;6.74,-4.19,;-.24,.3,;.53,1.63,;-.24,2.97,;-1.78,2.97,;-2.55,4.3,;-1.78,5.63,;-2.55,6.97,;-4.09,6.97,;-4.86,8.3,;-4.86,5.63,;-.24,5.63,;.53,6.97,;.53,4.3,;-1.77,.14,;-2.09,-1.37,)|
PDB
MMDB

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PC cid
PC sid
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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