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Compile Data Set for Download or QSAR

Found 279 hits Enz. Inhib. hit(s) with all data for entry = 11823   
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
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM651205
PNG
(US20240043470, Compound 4-13)
Show SMILES Fc1ccccc1CNC(=O)[C@@H]1CCCCCCCCCCC(=O)N[C@@H](CC(=O)N2CCCC2C2CC2)C(=O)N1 |r|
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n/an/a 18n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM651191
PNG
(US20240043470, Compound 3-46-A | US20240043470, Co...)
Show SMILES Fc1ccccc1CNC(=O)[C@@H]1CCCCOc2cccc(CCC(=O)N[C@@H](CC(=O)N3CCCC3C3CC3)C(=O)N1)c2 |r|
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n/an/a 68n/an/an/an/an/an/a


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Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM651191
PNG
(US20240043470, Compound 3-46-A | US20240043470, Co...)
Show SMILES Fc1ccccc1CNC(=O)[C@@H]1CCCCOc2cccc(CCC(=O)N[C@@H](CC(=O)N3CCCC3C3CC3)C(=O)N1)c2 |r|
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n/an/a 72.3n/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM651209
PNG
(US20240043470, Compound 4-17)
Show SMILES Fc1ccccc1CNC(=O)[C@@H]1CCCCCCCCCCC(=O)N[C@@H](CC(=O)N2CCCC2C2COC2)C(=O)N1 |r|
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n/an/a 110n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM651113
PNG
(US20240043470, Compound 1-66)
Show SMILES FC(F)(F)CNC(=O)[C@@H]1Cc2cccc(Oc3cccc(C[C@H](N4CCCC4=O)C(=O)N[C@@H](CCN4CCC(F)(F)CC4)C(=O)N1)c3)c2 |r|
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n/an/a 140n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM651205
PNG
(US20240043470, Compound 4-13)
Show SMILES Fc1ccccc1CNC(=O)[C@@H]1CCCCCCCCCCC(=O)N[C@@H](CC(=O)N2CCCC2C2CC2)C(=O)N1 |r|
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n/an/a 274n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM651191
PNG
(US20240043470, Compound 3-46-A | US20240043470, Co...)
Show SMILES Fc1ccccc1CNC(=O)[C@@H]1CCCCOc2cccc(CCC(=O)N[C@@H](CC(=O)N3CCCC3C3CC3)C(=O)N1)c2 |r|
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n/an/a 312n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM650937
PNG
(US20240043470, Compound 1-01)
Show SMILES Cn1cc(CNC(=O)[C@@H]2Cc3cccc(Oc4cccc(C[C@H](N5CCCCC5)C(=O)N[C@@H](CCc5ccccc5)C(=O)N2)c4)c3)cn1 |r|
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n/an/a 402n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600763
PNG
(CHEMBL5194112 | US20240043470, Compound 1-56)
Show SMILES FC(F)(F)CNC(=O)[C@@H]1Cc2cccc(Oc3cccc(C[C@H](N4CCCC4=O)C(=O)N[C@@H](CCc4ccccc4)C(=O)N1)c3)c2 |r|
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n/an/a 430n/an/an/an/an/an/a


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Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM651146
PNG
(US20240043470, Compound 3-02)
Show SMILES CC(=O)N[C@H]1Cc2cccc(OCCCC[C@H](NC(=O)[C@H](CCc3ccccc3)NC1=O)C(=O)NCC(F)(F)F)c2 |r|
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n/an/a 433n/an/an/an/an/an/a


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Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM651136
PNG
(US20240043470, Compound 1-91)
Show SMILES Fc1ccccc1CNC(=O)[C@@H]1Cc2cccc(Oc3cccc(CCC(=O)N[C@@H](CCN4CCOCC4)C(=O)N1)c3)c2 |r|
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n/an/a 470n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM651026
PNG
(US20240043470, Compound 1-09)
Show SMILES CCCN(CCC)[C@H]1Cc2cccc(Oc3cccc(C[C@H](NC(=O)[C@H](CCc4ccccc4)NC1=O)C(=O)NCc1ccccc1)c3)c2 |r|
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Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM651010
PNG
(US20240043470, Compound 1-06)
Show SMILES COC(=O)N[C@H]1Cc2cccc(Oc3cccc(C[C@H](NC(=O)[C@H](CCc4ccccc4)NC1=O)C(=O)NCC1CC1)c3)c2 |r|
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Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM650971
PNG
(US20240043470, Compound 1-02)
Show SMILES CCN(CC)[C@H]1Cc2cccc(Oc3cccc(C[C@H](NC(=O)[C@H](CCc4ccccc4)NC1=O)C(=O)NCc1cnn(C)c1)c3)c2 |r|
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Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM651114
PNG
(US20240043470, Compound 1-67)
Show SMILES FC(F)(F)CNC(=O)[C@@H]1Cc2cccc(Oc3cccc(C[C@H](N4CCCC4=O)C(=O)N[C@@H](CCN4CCCCC4)C(=O)N1)c3)c2 |r|
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n/an/a 570n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM651065
PNG
(US20240043470, Compound 1-18)
Show SMILES O=C(NC1CCCC1)[C@@H]1Cc2cccc(Oc3cccc(C[C@H](N4CCCC4)C(=O)N[C@@H](CCc4ccccc4)C(=O)N1)c3)c2 |r|
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n/an/a 572n/an/an/an/an/an/a


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Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600775
PNG
(CHEMBL5207942 | US20240043470, Compound 3-28)
Show SMILES Fc1ccc(CC[C@@H]2NC(=O)[C@H](Cc3cccc(OCCCC[C@H](NC2=O)C(=O)NC2CCCC2)c3)N2CCCC2=O)cc1 |r|
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Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM651145
PNG
(US20240043470, Compound 3-01)
Show SMILES CC(=O)N[C@H]1Cc2cccc(OC\C=C\C[C@H](NC(=O)[C@H](CCc3ccccc3)NC1=O)C(=O)NCC(F)(F)F)c2 |r,t:13|
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n/an/a 780n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50587103
PNG
(CHEMBL5086113 | US20240043470, Compound 2-01-B)
Show SMILES Fc1ccccc1CNC(=O)[C@@H]1Cc2ccc(Oc3cccc(CCC(=O)N[C@@H](CC(=O)N4CCCC4)C(=O)N1)c3)cc2 |r|
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n/an/a 845n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM651209
PNG
(US20240043470, Compound 4-17)
Show SMILES Fc1ccccc1CNC(=O)[C@@H]1CCCCCCCCCCC(=O)N[C@@H](CC(=O)N2CCCC2C2COC2)C(=O)N1 |r|
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n/an/a 880n/an/an/an/an/an/a


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Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM651140
PNG
(US20240043470, Compound 2-03-B)
Show SMILES O=C(CC1NC(=O)CCc2cccc(Oc3ccc(CC(NC1=O)C(=O)NCc1cccc4ccccc14)cc3)c2)N1CCCC1
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n/an/a 960n/an/an/an/an/an/a


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Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM650973
PNG
(US20240043470, Compound 1-03)
Show SMILES CN1CCC(CC1)C(=O)N[C@H]1Cc2cccc(Oc3cccc(C[C@H](NC(=O)[C@H](CCc4ccccc4)NC1=O)C(=O)NCc1cnn(C)c1)c3)c2 |r|
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n/an/a 1.00E+3n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM651104
PNG
(US20240043470, Compound 1-57)
Show SMILES CN(C)[C@H]1Cc2cccc(Oc3cccc(C[C@H](NC(=O)[C@H](CCc4ccccc4)NC1=O)C(=O)NCC(F)(F)F)c3)c2 |r|
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n/an/a 1.10E+3n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM651148
PNG
(US20240043470, Compound 3-04)
Show SMILES FC(F)(F)CNC(=O)[C@H]1CCCCOc2cccc(C[C@H](N3CCCC3=O)C(=O)N[C@@H](CCc3ccccc3)C(=O)N1)c2 |r|
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n/an/a 1.10E+3n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM651011
PNG
(US20240043470, Compound 1-07)
Show SMILES CCC(=O)N[C@H]1Cc2cccc(Oc3cccc(C[C@H](NC(=O)[C@H](CCc4ccccc4)NC1=O)C(=O)NCC1CC1)c3)c2 |r|
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n/an/a 1.12E+3n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM651074
PNG
(US20240043470, Compound 1-27)
Show SMILES CCNC(=O)[C@@H]1Cc2cccc(Oc3cccc(C[C@H](N(CC)CC)C(=O)N[C@@H](CCc4ccccc4)C(=O)N1)c3)c2 |r|
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n/an/a 1.14E+3n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM651027
PNG
(US20240043470, Compound 1-10)
Show SMILES CC1CCCN1[C@H]1Cc2cccc(Oc3cccc(C[C@H](NC(=O)[C@H](CCc4ccccc4)NC1=O)C(=O)NCc1ccccc1)c3)c2 |r|
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n/an/a 1.30E+3n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM651191
PNG
(US20240043470, Compound 3-46-A | US20240043470, Co...)
Show SMILES Fc1ccccc1CNC(=O)[C@@H]1CCCCOc2cccc(CCC(=O)N[C@@H](CC(=O)N3CCCC3C3CC3)C(=O)N1)c2 |r|
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n/an/a 1.35E+3n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM651072
PNG
(US20240043470, Compound 1-25)
Show SMILES CCN(CC)[C@H]1Cc2cccc(Oc3cccc(C[C@H](NC(=O)[C@H](CCc4ccccc4)NC1=O)C(=O)NC(C)C)c3)c2 |r|
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n/an/a 1.63E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM651012
PNG
(US20240043470, Compound 1-08)
Show SMILES CS(=O)(=O)N[C@H]1Cc2cccc(Oc3cccc(C[C@H](NC(=O)[C@H](CCc4ccccc4)NC1=O)C(=O)NCC1CC1)c3)c2 |r|
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n/an/a 1.78E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM651056
PNG
(US20240043470, Compound 1-11)
Show SMILES OCC(=O)N[C@H]1Cc2cccc(Oc3cccc(C[C@H](NC(=O)[C@H](CCc4ccccc4)NC1=O)C(=O)NCc1ccccc1)c3)c2 |r|
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n/an/a 1.93E+3n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600773
PNG
(CHEMBL5174759 | US20240043470, Compound 3-08)
Show SMILES O=C(NC1CCCC1)[C@@H]1CCCCOc2cccc(C[C@H](N3CCCC3=O)C(=O)N[C@@H](CCc3ccccc3)C(=O)N1)c2 |r|
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n/an/a 2.15E+3n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM651076
PNG
(US20240043470, Compound 1-29)
Show SMILES CCN(CC)[C@H]1Cc2cccc(Oc3cccc(C[C@H](NC(=O)[C@H](CCc4ccccc4)NC1=O)C(=O)NCC(C)C)c3)c2 |r|
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n/an/a 2.20E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM651080
PNG
(US20240043470, Compound 1-33)
Show SMILES COCCC(=O)N[C@H]1Cc2cccc(Oc3cccc(C[C@H](NC(=O)[C@H](CCc4ccccc4)NC1=O)C(=O)NCc1cccnc1)c3)c2 |r|
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n/an/a 2.25E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM651075
PNG
(US20240043470, Compound 1-28)
Show SMILES CCNC(=O)[C@@H]1Cc2cccc(Oc3cccc(C[C@H](N4CCCCC4)C(=O)N[C@@H](CCc4ccccc4)C(=O)N1)c3)c2 |r|
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n/an/a 2.47E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600768
PNG
(CHEMBL5195365 | US20240043470, Compound 3-11)
Show SMILES Cn1cc(CNC(=O)[C@@H]2CCCCOc3cccc(C[C@H](N4CCCC4=O)C(=O)N[C@@H](CCc4ccccc4)C(=O)N2)c3)cn1 |r|
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n/an/a 2.48E+3n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM651111
PNG
(US20240043470, Compound 1-64)
Show SMILES CN1[C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cccc(Oc3cccc(C[C@H](N4CCCC4=O)C1=O)c3)c2)C(=O)NCC(F)(F)F |r|
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n/an/a 2.72E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM651066
PNG
(US20240043470, Compound 1-19)
Show SMILES CCC(=O)N[C@H]1Cc2cccc(Oc3cccc(C[C@H](NC(=O)[C@H](CCc4ccccc4)NC1=O)C(=O)NC1CCCC1)c3)c2 |r|
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n/an/a 2.80E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM651081
PNG
(US20240043470, Compound 1-34)
Show SMILES COCCNC(=O)[C@@H]1Cc2cccc(Oc3cccc(C[C@H](NC(=O)c4cccnc4)C(=O)N[C@@H](CCc4ccccc4)C(=O)N1)c3)c2 |r|
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n/an/a 2.85E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM651110
PNG
(US20240043470, Compound 1-63)
Show SMILES FC(F)(F)CNC(=O)[C@@H]1Cc2cccc(Oc3cccc(C[C@H](N4CCCC4=O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N1)c3)c2 |r|
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n/an/a 2.87E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600776
PNG
(CHEMBL5198676 | US20240043470, Compound 3-42)
Show SMILES FC1(F)CCN(CC[C@@H]2NC(=O)[C@H](Cc3cccc(OCCCC[C@H](NC2=O)C(=O)NC2CCCC2)c3)N2CCCC2=O)CC1 |r|
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n/an/a 2.92E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM651082
PNG
(US20240043470, Compound 1-35)
Show SMILES CS(=O)(=O)N[C@H]1Cc2cccc(Oc3cccc(C[C@H](NC(=O)[C@H](CCc4ccccc4)NC1=O)C(N)=O)c3)c2 |r|
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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50587108
PNG
(CHEMBL5078262 | US20240043470, Compound 3-18)
Show SMILES Fc1ccccc1CNC(=O)[C@@H]1CCCCOc2cccc(CCC(=O)N[C@@H](CC(=O)N3CCC[C@@H]3c3ccccc3)C(=O)N1)c2 |r|
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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM651083
PNG
(US20240043470, Compound 1-36)
Show SMILES CCN(CC)C(=O)[C@@H]1Cc2cccc(Oc3cccc(C[C@H](NC(=O)c4ccncc4)C(=O)N[C@@H](CCc4ccccc4)C(=O)N1)c3)c2 |r|
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n/an/a 3.04E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600767
PNG
(CHEMBL5191353 | US20240043470, Compound 3-07)
Show SMILES O=C(NCC1CC1)[C@@H]1CCCCOc2cccc(C[C@H](N3CCCC3=O)C(=O)N[C@@H](CCc3ccccc3)C(=O)N1)c2 |r|
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n/an/a 3.14E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM651059
PNG
(US20240043470, Compound 1-12)
Show SMILES O=C(NCc1ccccc1)[C@@H]1Cc2cccc(Oc3cccc(C[C@H](NC(=O)c4ccccn4)C(=O)N[C@@H](CCc4ccccc4)C(=O)N1)c3)c2 |r|
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n/an/a 3.20E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM651067
PNG
(US20240043470, Compound 1-20)
Show SMILES OCC(=O)N[C@H]1Cc2cccc(Oc3cccc(C[C@H](NC(=O)[C@H](CCc4ccccc4)NC1=O)C(=O)NC1CCCC1)c3)c2 |r|
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PC sid
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n/an/a 3.25E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM651170
PNG
(US20240043470, Compound 3-26)
Show SMILES Fc1ccccc1CNC(=O)[C@@H]1CCCCOc2cccc(CCC(=O)N[C@@H](CCN3CCOCC3)C(=O)N1)c2 |r|
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n/an/a 3.40E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM651068
PNG
(US20240043470, Compound 1-21)
Show SMILES CCCN(CCC)[C@H]1Cc2cccc(Oc3cccc(C[C@H](NC(=O)[C@H](CCc4ccccc4)NC1=O)C(=O)NC1CCCC1)c3)c2 |r|
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n/an/a 3.40E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM651170
PNG
(US20240043470, Compound 3-26)
Show SMILES Fc1ccccc1CNC(=O)[C@@H]1CCCCOc2cccc(CCC(=O)N[C@@H](CCN3CCOCC3)C(=O)N1)c2 |r|
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n/an/a 3.50E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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