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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427] ' and Ligand = 'BDBM585806'   
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
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]


(Homo sapiens (Human))
BDBM585806
PNG
(US11530229, Compound 21)
Show SMILES Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CN[C@@H]3CCC(F)(F)C3)cc2C(F)(F)F)C1=O |r,wU:9.12,27.29,wD:7.14,(7.67,-1.35,;6.2,-1.83,;5.73,-3.29,;4.19,-3.29,;3.71,-1.83,;4.96,-.92,;4.96,.62,;6.29,1.39,;7.38,.3,;8.47,1.39,;7.38,2.48,;10.01,1.39,;11.55,1.39,;4.96,2.16,;4.96,3.7,;3.62,4.47,;2.29,3.7,;2.29,2.16,;3.62,1.39,;.96,1.39,;.8,-.15,;-.71,-.47,;-1.48,.87,;-3.02,.87,;-3.79,-.47,;-5.33,-.47,;-6.1,-1.8,;-7.64,-1.8,;-8.55,-.55,;-10.01,-1.03,;-10.01,-2.57,;-11.55,-2.57,;-10.01,-4.11,;-8.55,-3.04,;-3.02,-1.8,;-1.48,-1.8,;-.71,-3.13,;-1.48,-4.47,;.83,-3.13,;.06,-4.47,;-.45,2.01,;-.77,3.52,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
The ability of candidate compounds to displace a known inhibitor and thereby inhibit Cbl-b activity was measured by monitoring the interaction of Cbl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2280CGT
More data for this
Ligand-Target Pair
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]


(Homo sapiens (Human))
BDBM585806
PNG
(US11530229, Compound 21)
Show SMILES Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CN[C@@H]3CCC(F)(F)C3)cc2C(F)(F)F)C1=O |r,wU:9.12,27.29,wD:7.14,(7.67,-1.35,;6.2,-1.83,;5.73,-3.29,;4.19,-3.29,;3.71,-1.83,;4.96,-.92,;4.96,.62,;6.29,1.39,;7.38,.3,;8.47,1.39,;7.38,2.48,;10.01,1.39,;11.55,1.39,;4.96,2.16,;4.96,3.7,;3.62,4.47,;2.29,3.7,;2.29,2.16,;3.62,1.39,;.96,1.39,;.8,-.15,;-.71,-.47,;-1.48,.87,;-3.02,.87,;-3.79,-.47,;-5.33,-.47,;-6.1,-1.8,;-7.64,-1.8,;-8.55,-.55,;-10.01,-1.03,;-10.01,-2.57,;-11.55,-2.57,;-10.01,-4.11,;-8.55,-3.04,;-3.02,-1.8,;-1.48,-1.8,;-.71,-3.13,;-1.48,-4.47,;.83,-3.13,;.06,-4.47,;-.45,2.01,;-.77,3.52,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
The ability of candidate compounds to displace a known inhibitor and thereby inhibit Cbl-b activity was measured by monitoring the interaction of Cbl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2280CGT
More data for this
Ligand-Target Pair
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]


(Homo sapiens (Human))
BDBM585806
PNG
(US11530229, Compound 21)
Show SMILES Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CN[C@@H]3CCC(F)(F)C3)cc2C(F)(F)F)C1=O |r,wU:9.12,27.29,wD:7.14,(7.67,-1.35,;6.2,-1.83,;5.73,-3.29,;4.19,-3.29,;3.71,-1.83,;4.96,-.92,;4.96,.62,;6.29,1.39,;7.38,.3,;8.47,1.39,;7.38,2.48,;10.01,1.39,;11.55,1.39,;4.96,2.16,;4.96,3.7,;3.62,4.47,;2.29,3.7,;2.29,2.16,;3.62,1.39,;.96,1.39,;.8,-.15,;-.71,-.47,;-1.48,.87,;-3.02,.87,;-3.79,-.47,;-5.33,-.47,;-6.1,-1.8,;-7.64,-1.8,;-8.55,-.55,;-10.01,-1.03,;-10.01,-2.57,;-11.55,-2.57,;-10.01,-4.11,;-8.55,-3.04,;-3.02,-1.8,;-1.48,-1.8,;-.71,-3.13,;-1.48,-4.47,;.83,-3.13,;.06,-4.47,;-.45,2.01,;-.77,3.52,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
The ability of candidate compounds to displace a known inhibitor and thereby inhibit Cbl-b activity was measured by monitoring the interaction of Cbl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2280CGT
More data for this
Ligand-Target Pair