Found 14 hits with Last Name = 'witkowska' and Initial = 'j' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50518157
(CHEMBL4522493)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C78H123N29O15/c1-43(2)38-56(72(121)105-35-11-21-57(105)67(116)98-51(18-7-31-92-76(84)85)65(114)101-55(63(112)96-42-61(109)110)40-45-41-95-49-16-4-3-14-47(45)49)103-66(115)54(39-44-25-27-46(108)28-26-44)102-69(118)59-23-12-36-106(59)73(122)60-24-13-37-107(60)71(120)53(20-9-33-94-78(88)89)100-68(117)58-22-10-34-104(58)70(119)52(19-8-32-93-77(86)87)99-64(113)50(17-6-30-91-75(82)83)97-62(111)48(79)15-5-29-90-74(80)81/h3-4,14,16,25-28,41,43,48,50-60,95,108H,5-13,15,17-24,29-40,42,79H2,1-2H3,(H,96,112)(H,97,111)(H,98,116)(H,99,113)(H,100,117)(H,101,114)(H,102,118)(H,103,115)(H,109,110)(H4,80,81,90)(H4,82,83,91)(H4,84,85,92)(H4,86,87,93)(H4,88,89,94)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gdansk
Curated by ChEMBL
| Assay Description
Non-competitive mixed-type inhibition of SDS-activated human erythrocytes 20S proteasome chymotrypsin like activity using Suc-LLVY-AMC as substrate m... |
J Med Chem 62: 359-370 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01025
BindingDB Entry DOI: 10.7270/Q2J106H4 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50518161
(CHEMBL4473076)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C57H91N23O10/c1-31(2)26-43(53(90)80-25-9-16-44(80)52(89)76-40(15-8-24-71-57(66)67)50(87)78-42(47(84)73-30-45(59)82)28-33-29-72-37-12-4-3-10-35(33)37)79-51(88)41(27-32-17-19-34(81)20-18-32)77-49(86)39(14-7-23-70-56(64)65)75-48(85)38(13-6-22-69-55(62)63)74-46(83)36(58)11-5-21-68-54(60)61/h3-4,10,12,17-20,29,31,36,38-44,72,81H,5-9,11,13-16,21-28,30,58H2,1-2H3,(H2,59,82)(H,73,84)(H,74,83)(H,75,85)(H,76,89)(H,77,86)(H,78,87)(H,79,88)(H4,60,61,68)(H4,62,63,69)(H4,64,65,70)(H4,66,67,71)/t36-,38-,39-,40-,41-,42-,43-,44-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gdansk
Curated by ChEMBL
| Assay Description
Non-competitive mixed-type inhibition of SDS-activated human erythrocytes 20S proteasome chymotrypsin like activity using Suc-LLVY-AMC as substrate m... |
J Med Chem 62: 359-370 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01025
BindingDB Entry DOI: 10.7270/Q2J106H4 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50518157
(CHEMBL4522493)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C78H123N29O15/c1-43(2)38-56(72(121)105-35-11-21-57(105)67(116)98-51(18-7-31-92-76(84)85)65(114)101-55(63(112)96-42-61(109)110)40-45-41-95-49-16-4-3-14-47(45)49)103-66(115)54(39-44-25-27-46(108)28-26-44)102-69(118)59-23-12-36-106(59)73(122)60-24-13-37-107(60)71(120)53(20-9-33-94-78(88)89)100-68(117)58-22-10-34-104(58)70(119)52(19-8-32-93-77(86)87)99-64(113)50(17-6-30-91-75(82)83)97-62(111)48(79)15-5-29-90-74(80)81/h3-4,14,16,25-28,41,43,48,50-60,95,108H,5-13,15,17-24,29-40,42,79H2,1-2H3,(H,96,112)(H,97,111)(H,98,116)(H,99,113)(H,100,117)(H,101,114)(H,102,118)(H,103,115)(H,109,110)(H4,80,81,90)(H4,82,83,91)(H4,84,85,92)(H4,86,87,93)(H4,88,89,94)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gdansk
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of SDS-activated human erythrocytes 20S proteasome chymotrypsin like activity using Suc-LLVY-AMC as substrate measured... |
J Med Chem 62: 359-370 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01025
BindingDB Entry DOI: 10.7270/Q2J106H4 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50518161
(CHEMBL4473076)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C57H91N23O10/c1-31(2)26-43(53(90)80-25-9-16-44(80)52(89)76-40(15-8-24-71-57(66)67)50(87)78-42(47(84)73-30-45(59)82)28-33-29-72-37-12-4-3-10-35(33)37)79-51(88)41(27-32-17-19-34(81)20-18-32)77-49(86)39(14-7-23-70-56(64)65)75-48(85)38(13-6-22-69-55(62)63)74-46(83)36(58)11-5-21-68-54(60)61/h3-4,10,12,17-20,29,31,36,38-44,72,81H,5-9,11,13-16,21-28,30,58H2,1-2H3,(H2,59,82)(H,73,84)(H,74,83)(H,75,85)(H,76,89)(H,77,86)(H,78,87)(H,79,88)(H4,60,61,68)(H4,62,63,69)(H4,64,65,70)(H4,66,67,71)/t36-,38-,39-,40-,41-,42-,43-,44-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gdansk
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of SDS-activated human erythrocytes 20S proteasome chymotrypsin like activity using Suc-LLVY-AMC as substrate measured... |
J Med Chem 62: 359-370 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01025
BindingDB Entry DOI: 10.7270/Q2J106H4 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50518155
(CHEMBL4455740)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C65H110N26O13/c1-36(2)34-45(58(101)89-31-9-18-47(89)54(97)85-43(60(103)104)16-7-29-81-65(75)76)87-52(95)44(35-37-21-23-38(92)24-22-37)86-55(98)48-19-10-32-90(48)59(102)49-20-11-33-91(49)57(100)42(15-6-28-80-64(73)74)84-53(96)46-17-8-30-88(46)56(99)41(14-5-27-79-63(71)72)83-51(94)40(13-4-26-78-62(69)70)82-50(93)39(66)12-3-25-77-61(67)68/h21-24,36,39-49,92H,3-20,25-35,66H2,1-2H3,(H,82,93)(H,83,94)(H,84,96)(H,85,97)(H,86,98)(H,87,95)(H,103,104)(H4,67,68,77)(H4,69,70,78)(H4,71,72,79)(H4,73,74,80)(H4,75,76,81)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gdansk
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of SDS-activated human erythrocytes 20S proteasome chymotrypsin like activity using Suc-LLVY-AMC as substrate measured... |
J Med Chem 62: 359-370 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01025
BindingDB Entry DOI: 10.7270/Q2J106H4 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50518160
(CHEMBL4452589)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C76H122N28O15/c1-43(2)39-54(70(118)102-36-12-22-55(102)65(113)95-49(19-8-32-90-74(82)83)63(111)98-52(61(109)93-42-59(106)107)40-44-15-4-3-5-16-44)100-64(112)53(41-45-26-28-46(105)29-27-45)99-67(115)57-24-13-37-103(57)71(119)58-25-14-38-104(58)69(117)51(21-10-34-92-76(86)87)97-66(114)56-23-11-35-101(56)68(116)50(20-9-33-91-75(84)85)96-62(110)48(18-7-31-89-73(80)81)94-60(108)47(77)17-6-30-88-72(78)79/h3-5,15-16,26-29,43,47-58,105H,6-14,17-25,30-42,77H2,1-2H3,(H,93,109)(H,94,108)(H,95,113)(H,96,110)(H,97,114)(H,98,111)(H,99,115)(H,100,112)(H,106,107)(H4,78,79,88)(H4,80,81,89)(H4,82,83,90)(H4,84,85,91)(H4,86,87,92)/t47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gdansk
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of SDS-activated human erythrocytes 20S proteasome chymotrypsin like activity using Suc-LLVY-AMC as substrate measured... |
J Med Chem 62: 359-370 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01025
BindingDB Entry DOI: 10.7270/Q2J106H4 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50518162
(CHEMBL4443693)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C57H90N22O11/c1-31(2)26-43(53(90)79-25-9-16-44(79)52(89)75-40(15-8-24-70-57(65)66)50(87)77-42(47(84)72-30-45(81)82)28-33-29-71-37-12-4-3-10-35(33)37)78-51(88)41(27-32-17-19-34(80)20-18-32)76-49(86)39(14-7-23-69-56(63)64)74-48(85)38(13-6-22-68-55(61)62)73-46(83)36(58)11-5-21-67-54(59)60/h3-4,10,12,17-20,29,31,36,38-44,71,80H,5-9,11,13-16,21-28,30,58H2,1-2H3,(H,72,84)(H,73,83)(H,74,85)(H,75,89)(H,76,86)(H,77,87)(H,78,88)(H,81,82)(H4,59,60,67)(H4,61,62,68)(H4,63,64,69)(H4,65,66,70)/t36-,38-,39-,40-,41-,42-,43-,44-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 111 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gdansk
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of SDS-activated human erythrocytes 20S proteasome chymotrypsin like activity using Suc-LLVY-AMC as substrate measured... |
J Med Chem 62: 359-370 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01025
BindingDB Entry DOI: 10.7270/Q2J106H4 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50518159
(CHEMBL4471574)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C78H124N30O14/c1-43(2)38-56(72(121)106-35-11-21-57(106)67(116)99-51(18-7-31-93-76(85)86)65(114)102-55(63(112)97-42-61(80)110)40-45-41-96-49-16-4-3-14-47(45)49)104-66(115)54(39-44-25-27-46(109)28-26-44)103-69(118)59-23-12-36-107(59)73(122)60-24-13-37-108(60)71(120)53(20-9-33-95-78(89)90)101-68(117)58-22-10-34-105(58)70(119)52(19-8-32-94-77(87)88)100-64(113)50(17-6-30-92-75(83)84)98-62(111)48(79)15-5-29-91-74(81)82/h3-4,14,16,25-28,41,43,48,50-60,96,109H,5-13,15,17-24,29-40,42,79H2,1-2H3,(H2,80,110)(H,97,112)(H,98,111)(H,99,116)(H,100,113)(H,101,117)(H,102,114)(H,103,118)(H,104,115)(H4,81,82,91)(H4,83,84,92)(H4,85,86,93)(H4,87,88,94)(H4,89,90,95)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 113 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gdansk
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of SDS-activated human erythrocytes 20S proteasome chymotrypsin like activity using Suc-LLVY-AMC as substrate measured... |
J Med Chem 62: 359-370 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01025
BindingDB Entry DOI: 10.7270/Q2J106H4 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50518158
(CHEMBL4445118)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(N)=O |r| Show InChI InChI=1S/C56H92N22O11/c1-30(2)27-42(52(89)78-26-8-13-43(78)51(88)74-39(12-7-25-70-56(65)66)48(85)75-40(49(86)71-31(3)44(58)81)28-32-14-18-34(79)19-15-32)77-50(87)41(29-33-16-20-35(80)21-17-33)76-47(84)38(11-6-24-69-55(63)64)73-46(83)37(10-5-23-68-54(61)62)72-45(82)36(57)9-4-22-67-53(59)60/h14-21,30-31,36-43,79-80H,4-13,22-29,57H2,1-3H3,(H2,58,81)(H,71,86)(H,72,82)(H,73,83)(H,74,88)(H,75,85)(H,76,84)(H,77,87)(H4,59,60,67)(H4,61,62,68)(H4,63,64,69)(H4,65,66,70)/t31-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 154 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gdansk
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of SDS-activated human erythrocytes 20S proteasome chymotrypsin like activity using Suc-LLVY-AMC as substrate measured... |
J Med Chem 62: 359-370 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01025
BindingDB Entry DOI: 10.7270/Q2J106H4 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50518156
(CHEMBL4573624)Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C51H79N21O10/c52-32(9-3-19-61-48(53)54)41(76)67-34(11-4-20-62-49(55)56)43(78)68-35(12-5-21-63-50(57)58)45(80)71-38(24-28-15-17-30(73)18-16-28)47(82)72-23-7-14-39(72)46(81)69-36(13-6-22-64-51(59)60)44(79)70-37(42(77)66-27-40(74)75)25-29-26-65-33-10-2-1-8-31(29)33/h1-2,8,10,15-18,26,32,34-39,65,73H,3-7,9,11-14,19-25,27,52H2,(H,66,77)(H,67,76)(H,68,78)(H,69,81)(H,70,79)(H,71,80)(H,74,75)(H4,53,54,61)(H4,55,56,62)(H4,57,58,63)(H4,59,60,64)/t32-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 166 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gdansk
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of SDS-activated human erythrocytes 20S proteasome chymotrypsin like activity using Suc-LLVY-AMC as substrate measured... |
J Med Chem 62: 359-370 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01025
BindingDB Entry DOI: 10.7270/Q2J106H4 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50518157
(CHEMBL4522493)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C78H123N29O15/c1-43(2)38-56(72(121)105-35-11-21-57(105)67(116)98-51(18-7-31-92-76(84)85)65(114)101-55(63(112)96-42-61(109)110)40-45-41-95-49-16-4-3-14-47(45)49)103-66(115)54(39-44-25-27-46(108)28-26-44)102-69(118)59-23-12-36-106(59)73(122)60-24-13-37-107(60)71(120)53(20-9-33-94-78(88)89)100-68(117)58-22-10-34-104(58)70(119)52(19-8-32-93-77(86)87)99-64(113)50(17-6-30-91-75(82)83)97-62(111)48(79)15-5-29-90-74(80)81/h3-4,14,16,25-28,41,43,48,50-60,95,108H,5-13,15,17-24,29-40,42,79H2,1-2H3,(H,96,112)(H,97,111)(H,98,116)(H,99,113)(H,100,117)(H,101,114)(H,102,118)(H,103,115)(H,109,110)(H4,80,81,90)(H4,82,83,91)(H4,84,85,92)(H4,86,87,93)(H4,88,89,94)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gdansk
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of 10 uM Rpt5-activated human erythrocytes 20S proteasome chymotrypsin like activity using Suc-LLVY-AMC as substrate m... |
J Med Chem 62: 359-370 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01025
BindingDB Entry DOI: 10.7270/Q2J106H4 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50518157
(CHEMBL4522493)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C78H123N29O15/c1-43(2)38-56(72(121)105-35-11-21-57(105)67(116)98-51(18-7-31-92-76(84)85)65(114)101-55(63(112)96-42-61(109)110)40-45-41-95-49-16-4-3-14-47(45)49)103-66(115)54(39-44-25-27-46(108)28-26-44)102-69(118)59-23-12-36-106(59)73(122)60-24-13-37-107(60)71(120)53(20-9-33-94-78(88)89)100-68(117)58-22-10-34-104(58)70(119)52(19-8-32-93-77(86)87)99-64(113)50(17-6-30-91-75(82)83)97-62(111)48(79)15-5-29-90-74(80)81/h3-4,14,16,25-28,41,43,48,50-60,95,108H,5-13,15,17-24,29-40,42,79H2,1-2H3,(H,96,112)(H,97,111)(H,98,116)(H,99,113)(H,100,117)(H,101,114)(H,102,118)(H,103,115)(H,109,110)(H4,80,81,90)(H4,82,83,91)(H4,84,85,92)(H4,86,87,93)(H4,88,89,94)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gdansk
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of 1 uM Rpt5-activated human erythrocytes 20S proteasome chymotrypsin like activity using Suc-LLVY-AMC as substrate me... |
J Med Chem 62: 359-370 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01025
BindingDB Entry DOI: 10.7270/Q2J106H4 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50518155
(CHEMBL4455740)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C65H110N26O13/c1-36(2)34-45(58(101)89-31-9-18-47(89)54(97)85-43(60(103)104)16-7-29-81-65(75)76)87-52(95)44(35-37-21-23-38(92)24-22-37)86-55(98)48-19-10-32-90(48)59(102)49-20-11-33-91(49)57(100)42(15-6-28-80-64(73)74)84-53(96)46-17-8-30-88(46)56(99)41(14-5-27-79-63(71)72)83-51(94)40(13-4-26-78-62(69)70)82-50(93)39(66)12-3-25-77-61(67)68/h21-24,36,39-49,92H,3-20,25-35,66H2,1-2H3,(H,82,93)(H,83,94)(H,84,96)(H,85,97)(H,86,98)(H,87,95)(H,103,104)(H4,67,68,77)(H4,69,70,78)(H4,71,72,79)(H4,73,74,80)(H4,75,76,81)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gdansk
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of 1 uM Rpt5-activated human erythrocytes 20S proteasome chymotrypsin like activity using Suc-LLVY-AMC as substrate me... |
J Med Chem 62: 359-370 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01025
BindingDB Entry DOI: 10.7270/Q2J106H4 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50518155
(CHEMBL4455740)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C65H110N26O13/c1-36(2)34-45(58(101)89-31-9-18-47(89)54(97)85-43(60(103)104)16-7-29-81-65(75)76)87-52(95)44(35-37-21-23-38(92)24-22-37)86-55(98)48-19-10-32-90(48)59(102)49-20-11-33-91(49)57(100)42(15-6-28-80-64(73)74)84-53(96)46-17-8-30-88(46)56(99)41(14-5-27-79-63(71)72)83-51(94)40(13-4-26-78-62(69)70)82-50(93)39(66)12-3-25-77-61(67)68/h21-24,36,39-49,92H,3-20,25-35,66H2,1-2H3,(H,82,93)(H,83,94)(H,84,96)(H,85,97)(H,86,98)(H,87,95)(H,103,104)(H4,67,68,77)(H4,69,70,78)(H4,71,72,79)(H4,73,74,80)(H4,75,76,81)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gdansk
Curated by ChEMBL
| Assay Description
Negative allosteric modulation of 10 uM Rpt5-activated human erythrocytes 20S proteasome chymotrypsin like activity using Suc-LLVY-AMC as substrate m... |
J Med Chem 62: 359-370 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01025
BindingDB Entry DOI: 10.7270/Q2J106H4 |
More data for this
Ligand-Target Pair | |
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