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Compile Data Set for Download or QSAR

Found 85 hits with Last Name = 'al-ayed' and Initial = 'k'   
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
26S proteosome


(Homo sapiens)
BDBM50099832
PNG
(CHEMBL3319587)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2)C(=O)[C@@]2(C)CO2)cc1
Show InChI InChI=1S/C9H13NO3/c1-6-2-3-8(13-6)7(5-10)4-9(11)12/h2-3,7H,4-5,10H2,1H3,(H,11,12)/t7-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human Raji cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50099830
PNG
(CHEMBL3319585)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)C2=C(C)c3ccccc3C2)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2)C(=O)[C@@]2(C)CO2)cc1
Show InChI InChI=1S/C8H11NO2S/c9-4-7(3-8(10)11)6-1-2-12-5-6/h1-2,5,7H,3-4,9H2,(H,10,11)/t7-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human Raji cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50099659
PNG
(CHEMBL3319478)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2)C(=O)[C@@]2(C)CO2)cc1
Show InChI InChI=1S/C22H11ClF2N2O/c23-17-6-2-4-8-20(17)27-21(12-9-14-5-1-3-7-18(14)25)26-19-11-10-15(24)13-16(19)22(27)28/h1-8,10-11,13H
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n/an/a 2n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human Raji cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50099831
PNG
(CHEMBL3319586)
Show SMILES C[C@@H](NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C8H10ClNO2S/c9-6-2-7(13-4-6)5(3-10)1-8(11)12/h2,4-5H,1,3,10H2,(H,11,12)/t5-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human Raji cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50099663
PNG
(CHEMBL3319482)
Show SMILES C[C@@H](NC(=O)C1=C(C)c2ccccc2C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C22H16ClF2N3O/c23-17-6-2-4-8-20(17)28-21(13-26-12-14-5-1-3-7-18(14)25)27-19-10-9-15(24)11-16(19)22(28)29/h1-11,26H,12-13H2
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n/an/a 2.5n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human Raji cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50099685
PNG
(CHEMBL3319578)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)C2=C(C)c3ccccc3C2)C(=O)N[C@@H](CC2CCCCC2)C(=O)[C@@]2(C)CO2)cc1
Show InChI InChI=1S/C36H45N3O6/c1-22-28-13-9-8-12-26(28)20-29(22)34(42)37-23(2)33(41)39-31(19-25-14-16-27(44-4)17-15-25)35(43)38-30(32(40)36(3)21-45-36)18-24-10-6-5-7-11-24/h8-9,12-17,23-24,30-31H,5-7,10-11,18-21H2,1-4H3,(H,37,42)(H,38,43)(H,39,41)/t23-,30-,31-,36+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human Raji cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50099829
PNG
(CHEMBL3319584)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)C2=C(C)c3ccccc3C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1
Show InChI InChI=1S/C8H11NO3/c9-5-6(4-8(10)11)7-2-1-3-12-7/h1-3,6H,4-5,9H2,(H,10,11)/t6-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human Raji cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50099660
PNG
(CHEMBL3319479)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)[C@@]2(C)CO2)cc1
Show InChI InChI=1S/C23H16ClF2N3O2/c1-14(30)28(21-9-5-3-7-18(21)26)13-22-27-19-11-10-15(25)12-16(19)23(31)29(22)20-8-4-2-6-17(20)24/h2-12H,13H2,1H3
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n/an/a 3.10n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human Raji cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50099833
PNG
(CHEMBL3319588)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)C2=C(C)c3ccccc3C2)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2)C(=O)[C@@]2(C)CO2)cc1
Show InChI InChI=1S/C8H10BrNO2S/c9-6-2-7(13-4-6)5(3-10)1-8(11)12/h2,4-5H,1,3,10H2,(H,11,12)/t5-/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human Raji cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50099687
PNG
(CHEMBL3319580)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)C2=C(C)c3ccccc3C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1
Show InChI InChI=1S/C36H39N3O6/c1-22-28-13-9-8-12-26(28)20-29(22)34(42)37-23(2)33(41)39-31(19-25-14-16-27(44-4)17-15-25)35(43)38-30(32(40)36(3)21-45-36)18-24-10-6-5-7-11-24/h5-17,23,30-31H,18-21H2,1-4H3,(H,37,42)(H,38,43)(H,39,41)/t23-,30-,31-,36+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human Raji cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50099683
PNG
(CHEMBL3319484)
Show SMILES C[C@@H](NC(=O)C1=C(C)c2ccccc2C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C43H42N4O5/c1-26-33-14-8-7-13-31(33)22-35(26)41(50)45-27(2)40(49)47-38(23-32-24-44-36-16-10-9-15-34(32)36)42(51)46-37(39(48)43(3)25-52-43)21-28-17-19-30(20-18-28)29-11-5-4-6-12-29/h4-20,24,27,37-38,44H,21-23,25H2,1-3H3,(H,45,50)(H,46,51)(H,47,49)/t27-,37+,38+,43-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human Raji cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50007203
PNG
(CHEMBL3237875)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1
Show InChI InChI=1S/C31H40N4O7/c1-21(32-27(36)19-35-13-15-41-16-14-35)29(38)34-26(18-23-9-11-24(40-3)12-10-23)30(39)33-25(28(37)31(2)20-42-31)17-22-7-5-4-6-8-22/h4-12,21,25-26H,13-20H2,1-3H3,(H,32,36)(H,33,39)(H,34,38)/t21-,25-,26-,31+/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human Raji cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50099662
PNG
(CHEMBL3319481)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC2CCCCC2)C(=O)[C@@]2(C)CO2)cc1
Show InChI InChI=1S/C22H16ClF2N3O/c1-27(20-9-5-3-7-17(20)25)13-21-26-18-11-10-14(24)12-15(18)22(29)28(21)19-8-4-2-6-16(19)23/h2-12H,13H2,1H3
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n/an/a 6.60n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human Raji cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50099664
PNG
(CHEMBL3319483)
Show SMILES C[C@@H](NC(=O)C1=C(C)c2ccccc2C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC1CCCCC1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C26H24ClFN4O/c27-22-8-1-2-9-24(22)32-25(30-23-11-10-19(28)15-21(23)26(32)33)16-29-20-7-5-6-18(14-20)17-31-12-3-4-13-31/h1-2,5-11,14-15,29H,3-4,12-13,16-17H2
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n/an/a 8.30n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human Raji cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50099686
PNG
(CHEMBL3319579)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)C2=C(C)c3ccccc3C2)C(=O)N[C@@H](CC2CCCCC2)C(=O)[C@@]2(C)CO2)cc1
Show InChI InChI=1S/C36H45N3O6/c1-22-28-13-9-8-12-26(28)20-29(22)34(42)37-23(2)33(41)39-31(19-25-14-16-27(44-4)17-15-25)35(43)38-30(32(40)36(3)21-45-36)18-24-10-6-5-7-11-24/h8-9,12-17,23-24,30-31H,5-7,10-11,18-21H2,1-4H3,(H,37,42)(H,38,43)(H,39,41)/t23-,30+,31+,36-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human Raji cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50099827
PNG
(CHEMBL3319582)
Show SMILES C[C@@H](NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C10H13NO2/c11-7-9(6-10(12)13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human Raji cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50099828
PNG
(CHEMBL3319583)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1
Show InChI InChI=1S/C8H10BrNO2S/c9-7-2-1-6(13-7)5(4-10)3-8(11)12/h1-2,5H,3-4,10H2,(H,11,12)/t5-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human Raji cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50007203
PNG
(CHEMBL3237875)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1
Show InChI InChI=1S/C31H40N4O7/c1-21(32-27(36)19-35-13-15-41-16-14-35)29(38)34-26(18-23-9-11-24(40-3)12-10-23)30(39)33-25(28(37)31(2)20-42-31)17-22-7-5-4-6-8-22/h4-12,21,25-26H,13-20H2,1-3H3,(H,32,36)(H,33,39)(H,34,38)/t21-,25-,26-,31+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human RPMI8226 cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens)
BDBM50099945
PNG
(CHEMBL3319599)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3
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n/an/a 22n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50099663
PNG
(CHEMBL3319482)
Show SMILES C[C@@H](NC(=O)C1=C(C)c2ccccc2C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C22H16ClF2N3O/c23-17-6-2-4-8-20(17)28-21(13-26-12-14-5-1-3-7-18(14)25)27-19-10-9-15(24)11-16(19)22(28)29/h1-11,26H,12-13H2
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n/an/a 25n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human RPMI8226 cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50099688
PNG
(CHEMBL3319581)
Show SMILES C[C@@H](NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC1CCCCC1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C32H45N5O6/c1-21(34-28(38)19-37-12-14-42-15-13-37)30(40)36-27(17-23-18-33-25-11-7-6-10-24(23)25)31(41)35-26(29(39)32(2)20-43-32)16-22-8-4-3-5-9-22/h6-7,10-11,18,21-22,26-27,33H,3-5,8-9,12-17,19-20H2,1-2H3,(H,34,38)(H,35,41)(H,36,40)/t21-,26+,27+,32-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human Raji cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens)
BDBM50099949
PNG
(CHEMBL3319600)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CC(F)(F)CN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)
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n/an/a 34n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50099684
PNG
(CHEMBL3319577)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC2CCCCC2)C(=O)[C@@]2(C)CO2)cc1
Show InChI InChI=1S/C31H46N4O7/c1-21(32-27(36)19-35-13-15-41-16-14-35)29(38)34-26(18-23-9-11-24(40-3)12-10-23)30(39)33-25(28(37)31(2)20-42-31)17-22-7-5-4-6-8-22/h9-12,21-22,25-26H,4-8,13-20H2,1-3H3,(H,32,36)(H,33,39)(H,34,38)/t21-,25+,26+,31-/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human Raji cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens)
BDBM50099952
PNG
(CHEMBL3319603)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CC(F)(F)CN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C28H37F2N7O6/c1-4-5-11-19(24(40)35-20(23(39)27(3)16-43-27)12-18-9-7-6-8-10-18)34-25(41)21-13-28(29,30)15-37(21)26(42)17(2)33-22(38)14-32-36-31/h6-10,17,19-21H,4-5,11-16H2,1-3H3,(H,33,38)(H,34,41)(H,35,40)/t17-,19-,20-,21-,27+/m0/s1
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n/an/a 42n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50099662
PNG
(CHEMBL3319481)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC2CCCCC2)C(=O)[C@@]2(C)CO2)cc1
Show InChI InChI=1S/C22H16ClF2N3O/c1-27(20-9-5-3-7-17(20)25)13-21-26-18-11-10-14(24)12-15(18)22(29)28(21)19-8-4-2-6-16(19)23/h2-12H,13H2,1H3
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n/an/a 44n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human RPMI8226 cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens)
BDBM50099956
PNG
(CHEMBL3319593)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C25H41N7O6/c1-6-7-9-17(22(35)30-18(12-15(2)3)21(34)25(5)14-38-25)29-23(36)19-10-8-11-32(19)24(37)16(4)28-20(33)13-27-31-26/h15-19H,6-14H2,1-5H3,(H,28,33)(H,29,36)(H,30,35)/t16-,17-,18-,19-,25+/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50099836
PNG
(CHEMBL3319591)
Show SMILES C[C@@H](NC(=O)C1=C(C)c2ccccc2C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C36H38N4O5S/c1-23-29-14-8-7-13-26(29)20-31(23)35(42)38-24(2)34(41)40-33(21-27-22-37-32-16-10-9-15-30(27)32)36(43)39-28(17-18-46(3,44)45)19-25-11-5-4-6-12-25/h4-18,22,24,28,33,37H,19-21H2,1-3H3,(H,38,42)(H,39,43)(H,40,41)/b18-17+/t24-,28-,33+/m1/s1
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n/an/a 53n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human Raji cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50099688
PNG
(CHEMBL3319581)
Show SMILES C[C@@H](NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC1CCCCC1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C32H45N5O6/c1-21(34-28(38)19-37-12-14-42-15-13-37)30(40)36-27(17-23-18-33-25-11-7-6-10-24(23)25)31(41)35-26(29(39)32(2)20-43-32)16-22-8-4-3-5-9-22/h6-7,10-11,18,21-22,26-27,33H,3-5,8-9,12-17,19-20H2,1-2H3,(H,34,38)(H,35,41)(H,36,40)/t21-,26+,27+,32-/m1/s1
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n/an/a 59n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human RPMI8226 cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens)
BDBM50099950
PNG
(CHEMBL3319601)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C28H39N7O6/c1-4-5-12-20(25(38)33-21(24(37)28(3)17-41-28)15-19-10-7-6-8-11-19)32-26(39)22-13-9-14-35(22)27(40)18(2)31-23(36)16-30-34-29/h6-8,10-11,18,20-22H,4-5,9,12-17H2,1-3H3,(H,31,36)(H,32,39)(H,33,38)/t18-,20-,21-,22-,28+/m0/s1
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n/an/a 66n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens)
BDBM50099840
PNG
(CHEMBL3319597)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C9H13NO2S/c1-6-2-3-13-9(6)7(5-10)4-8(11)12/h2-3,7H,4-5,10H2,1H3,(H,11,12)/t7-/m0/s1
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n/an/a 67n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens)
BDBM50099838
PNG
(CHEMBL3319595)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CSCN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C8H11NO2S/c9-5-6(4-8(10)11)7-2-1-3-12-7/h1-3,6H,4-5,9H2,(H,10,11)/t6-/m0/s1
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n/an/a 68n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens)
BDBM50099951
PNG
(CHEMBL3319602)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](CC1CCCCC1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C28H45N7O6/c1-4-5-12-20(25(38)33-21(24(37)28(3)17-41-28)15-19-10-7-6-8-11-19)32-26(39)22-13-9-14-35(22)27(40)18(2)31-23(36)16-30-34-29/h18-22H,4-17H2,1-3H3,(H,31,36)(H,32,39)(H,33,38)/t18-,20-,21-,22-,28+/m0/s1
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n/an/a 87n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens)
BDBM50099953
PNG
(CHEMBL3319604)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CC(F)(F)CN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](CC1CCCCC1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C28H43F2N7O6/c1-4-5-11-19(24(40)35-20(23(39)27(3)16-43-27)12-18-9-7-6-8-10-18)34-25(41)21-13-28(29,30)15-37(21)26(42)17(2)33-22(38)14-32-36-31/h17-21H,4-16H2,1-3H3,(H,33,38)(H,34,41)(H,35,40)/t17-,19-,20-,21-,27+/m0/s1
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n/an/a 95n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens)
BDBM50099839
PNG
(CHEMBL3319596)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C9H13NO2S/c1-6-2-3-8(13-6)7(5-10)4-9(11)12/h2-3,7H,4-5,10H2,1H3,(H,11,12)/t7-/m0/s1
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n/an/a 96n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50099684
PNG
(CHEMBL3319577)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC2CCCCC2)C(=O)[C@@]2(C)CO2)cc1
Show InChI InChI=1S/C31H46N4O7/c1-21(32-27(36)19-35-13-15-41-16-14-35)29(38)34-26(18-23-9-11-24(40-3)12-10-23)30(39)33-25(28(37)31(2)20-42-31)17-22-7-5-4-6-8-22/h9-12,21-22,25-26H,4-8,13-20H2,1-3H3,(H,32,36)(H,33,39)(H,34,38)/t21-,25+,26+,31-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human RPMI8226 cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens)
BDBM50099954
PNG
(CHEMBL3319605)
Show SMILES CCCCCCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(CO[Si](C)(C)C(C)(C)C)CO1
Show InChI InChI=1S/C25H48N2O5Si/c1-10-11-12-13-14-21(28)26-19(4)23(30)27-20(15-18(2)3)22(29)25(16-31-25)17-32-33(8,9)24(5,6)7/h18-20H,10-17H2,1-9H3,(H,26,28)(H,27,30)/t19-,20-,25-/m0/s1
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n/an/a 104n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens)
BDBM50099953
PNG
(CHEMBL3319604)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CC(F)(F)CN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](CC1CCCCC1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C28H43F2N7O6/c1-4-5-11-19(24(40)35-20(23(39)27(3)16-43-27)12-18-9-7-6-8-10-18)34-25(41)21-13-28(29,30)15-37(21)26(42)17(2)33-22(38)14-32-36-31/h17-21H,4-16H2,1-3H3,(H,33,38)(H,34,41)(H,35,40)/t17-,19-,20-,21-,27+/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human RPMI8226 cells using BODIPY-NC001 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens)
BDBM50099956
PNG
(CHEMBL3319593)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C25H41N7O6/c1-6-7-9-17(22(35)30-18(12-15(2)3)21(34)25(5)14-38-25)29-23(36)19-10-8-11-32(19)24(37)16(4)28-20(33)13-27-31-26/h15-19H,6-14H2,1-5H3,(H,28,33)(H,29,36)(H,30,35)/t16-,17-,18-,19-,25+/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human RPMI8226 cells using BODIPY-NC001 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens)
BDBM50099837
PNG
(CHEMBL3319594)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-2-7(4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens)
BDBM50099841
PNG
(CHEMBL3319598)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C10H12ClNO2/c11-9-4-2-1-3-8(9)7(6-12)5-10(13)14/h1-4,7H,5-6,12H2,(H,13,14)/t7-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50099664
PNG
(CHEMBL3319483)
Show SMILES C[C@@H](NC(=O)C1=C(C)c2ccccc2C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC1CCCCC1)C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C26H24ClFN4O/c27-22-8-1-2-9-24(22)32-25(30-23-11-10-19(28)15-21(23)26(32)33)16-29-20-7-5-6-18(14-20)17-31-12-3-4-13-31/h1-2,5-11,14-15,29H,3-4,12-13,16-17H2
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n/an/a 230n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human RPMI8226 cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50099661
PNG
(CHEMBL3319480)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)[C@@]2(C)CO2)cc1
Show InChI InChI=1S/C22H14ClFN4O/c23-18-6-1-2-7-20(18)28-21(13-26-16-5-3-4-14(10-16)12-25)27-19-9-8-15(24)11-17(19)22(28)29/h1-11,26H,13H2
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n/an/a 244n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human Raji cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens)
BDBM50099662
PNG
(CHEMBL3319481)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC2CCCCC2)C(=O)[C@@]2(C)CO2)cc1
Show InChI InChI=1S/C22H16ClF2N3O/c1-27(20-9-5-3-7-17(20)25)13-21-26-18-11-10-14(24)12-15(18)22(29)28(21)19-8-4-2-6-16(19)23/h2-12H,13H2,1H3
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n/an/a 300n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens)
BDBM50007203
PNG
(CHEMBL3237875)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1
Show InChI InChI=1S/C31H40N4O7/c1-21(32-27(36)19-35-13-15-41-16-14-35)29(38)34-26(18-23-9-11-24(40-3)12-10-23)30(39)33-25(28(37)31(2)20-42-31)17-22-7-5-4-6-8-22/h4-12,21,25-26H,13-20H2,1-3H3,(H,32,36)(H,33,39)(H,34,38)/t21-,25-,26-,31+/m0/s1
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n/an/a 340n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human RPMI8226 cells using BODIPY-NC001 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50099686
PNG
(CHEMBL3319579)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)C2=C(C)c3ccccc3C2)C(=O)N[C@@H](CC2CCCCC2)C(=O)[C@@]2(C)CO2)cc1
Show InChI InChI=1S/C36H45N3O6/c1-22-28-13-9-8-12-26(28)20-29(22)34(42)37-23(2)33(41)39-31(19-25-14-16-27(44-4)17-15-25)35(43)38-30(32(40)36(3)21-45-36)18-24-10-6-5-7-11-24/h8-9,12-17,23-24,30-31H,5-7,10-11,18-21H2,1-4H3,(H,37,42)(H,38,43)(H,39,41)/t23-,30+,31+,36-/m1/s1
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n/an/a 370n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human RPMI8226 cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens)
BDBM50099662
PNG
(CHEMBL3319481)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC2CCCCC2)C(=O)[C@@]2(C)CO2)cc1
Show InChI InChI=1S/C22H16ClF2N3O/c1-27(20-9-5-3-7-17(20)25)13-21-26-18-11-10-14(24)12-15(18)22(29)28(21)19-8-4-2-6-16(19)23/h2-12H,13H2,1H3
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n/an/a 370n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human RPMI8226 cells using BODIPY-NC001 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50099836
PNG
(CHEMBL3319591)
Show SMILES C[C@@H](NC(=O)C1=C(C)c2ccccc2C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C36H38N4O5S/c1-23-29-14-8-7-13-26(29)20-31(23)35(42)38-24(2)34(41)40-33(21-27-22-37-32-16-10-9-15-30(27)32)36(43)39-28(17-18-46(3,44)45)19-25-11-5-4-6-12-25/h4-18,22,24,28,33,37H,19-21H2,1-3H3,(H,38,42)(H,39,43)(H,40,41)/b18-17+/t24-,28-,33+/m1/s1
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n/an/a 390n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human RPMI8226 cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50099834
PNG
(CHEMBL3319589)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc2ccccc2)\C=C\S(C)(=O)=O)cc1
Show InChI InChI=1S/C10H13NO3/c11-6-8(5-10(13)14)7-1-3-9(12)4-2-7/h1-4,8,12H,5-6,11H2,(H,13,14)/t8-/m0/s1
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n/an/a 392n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human Raji cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(Homo sapiens)
BDBM50099662
PNG
(CHEMBL3319481)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC2CCCCC2)C(=O)[C@@]2(C)CO2)cc1
Show InChI InChI=1S/C22H16ClF2N3O/c1-27(20-9-5-3-7-17(20)25)13-21-26-18-11-10-14(24)12-15(18)22(29)28(21)19-8-4-2-6-16(19)23/h2-12H,13H2,1H3
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n/an/a 410n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-2i in human Raji cells using BODIPY- epoxomicin by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens)
BDBM50007203
PNG
(CHEMBL3237875)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1
Show InChI InChI=1S/C31H40N4O7/c1-21(32-27(36)19-35-13-15-41-16-14-35)29(38)34-26(18-23-9-11-24(40-3)12-10-23)30(39)33-25(28(37)31(2)20-42-31)17-22-7-5-4-6-8-22/h4-12,21,25-26H,13-20H2,1-3H3,(H,32,36)(H,33,39)(H,34,38)/t21-,25-,26-,31+/m0/s1
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n/an/a 460n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
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