Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50001541 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 |
|---|
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50283797
(CHEMBL4169002)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@H](CCC(O)=O)NC2=O)[C@@H](C)O |r| Show InChI InChI=1S/C53H78N12O19/c1-26(2)20-33-45(76)55-24-39(68)57-30(13-16-38(54)67)46(77)61-34(21-27(3)4)49(80)63-36(23-43(74)75)53(84)65-19-9-12-37(65)51(82)59-32(15-18-42(72)73)48(79)64-44(28(5)66)52(83)56-25-40(69)58-31(14-17-41(70)71)47(78)62-35(50(81)60-33)22-29-10-7-6-8-11-29/h6-8,10-11,26-28,30-37,44,66H,9,12-25H2,1-5H3,(H2,54,67)(H,55,76)(H,56,83)(H,57,68)(H,58,69)(H,59,82)(H,60,81)(H,61,77)(H,62,78)(H,63,80)(H,64,79)(H,70,71)(H,72,73)(H,74,75)/t28-,30+,31+,32+,33+,34+,35+,36+,37+,44+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of FITC-labeled Nrf2 binding to human Keap1 Kelch domain (322 to 609 residues) expressed in Escherichia coli (DE3) after 30 mins by fluore... |
Eur J Med Chem 143: 1578-1589 (2018)
Article DOI: 10.1016/j.ejmech.2017.10.052
BindingDB Entry DOI: 10.7270/Q2PK0JNT |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50283796
(CHEMBL4174405)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(C)=O)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C55H82N12O21/c1-27(2)21-35(62-47(79)32(14-17-40(56)70)59-41(71)25-57-30(6)69)50(82)64-37(24-45(77)78)54(86)67-20-10-13-39(67)52(84)61-34(16-19-44(75)76)49(81)66-46(29(5)68)53(85)58-26-42(72)60-33(15-18-43(73)74)48(80)63-36(23-31-11-8-7-9-12-31)51(83)65-38(55(87)88)22-28(3)4/h7-9,11-12,27-29,32-39,46,68H,10,13-26H2,1-6H3,(H2,56,70)(H,57,69)(H,58,85)(H,59,71)(H,60,72)(H,61,84)(H,62,79)(H,63,80)(H,64,82)(H,65,83)(H,66,81)(H,73,74)(H,75,76)(H,77,78)(H,87,88)/t29-,32+,33+,34+,35+,36+,37+,38+,39+,46+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of FITC-labeled Nrf2 binding to human Keap1 Kelch domain (322 to 609 residues) expressed in Escherichia coli (DE3) after 30 mins by fluore... |
Eur J Med Chem 143: 1578-1589 (2018)
Article DOI: 10.1016/j.ejmech.2017.10.052
BindingDB Entry DOI: 10.7270/Q2PK0JNT |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50200470
(CHEMBL3965115)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C48H71N9O18/c1-24(2)19-31(50-27(6)59)43(69)54-33(22-39(65)66)47(73)57-18-10-13-35(57)45(71)52-30(15-17-38(63)64)42(68)56-40(26(5)58)46(72)49-23-36(60)51-29(14-16-37(61)62)41(67)53-32(21-28-11-8-7-9-12-28)44(70)55-34(48(74)75)20-25(3)4/h7-9,11-12,24-26,29-35,40,58H,10,13-23H2,1-6H3,(H,49,72)(H,50,59)(H,51,60)(H,52,71)(H,53,67)(H,54,69)(H,55,70)(H,56,68)(H,61,62)(H,63,64)(H,65,66)(H,74,75)/t26-,29+,30+,31+,32+,33+,34+,35+,40+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Binding affinity to Keap1 (unknown origin) by isothermal titration calorimetry |
Eur J Med Chem 143: 1578-1589 (2018)
Article DOI: 10.1016/j.ejmech.2017.10.052
BindingDB Entry DOI: 10.7270/Q2PK0JNT |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50283796
(CHEMBL4174405)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(C)=O)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C55H82N12O21/c1-27(2)21-35(62-47(79)32(14-17-40(56)70)59-41(71)25-57-30(6)69)50(82)64-37(24-45(77)78)54(86)67-20-10-13-39(67)52(84)61-34(16-19-44(75)76)49(81)66-46(29(5)68)53(85)58-26-42(72)60-33(15-18-43(73)74)48(80)63-36(23-31-11-8-7-9-12-31)51(83)65-38(55(87)88)22-28(3)4/h7-9,11-12,27-29,32-39,46,68H,10,13-26H2,1-6H3,(H2,56,70)(H,57,69)(H,58,85)(H,59,71)(H,60,72)(H,61,84)(H,62,79)(H,63,80)(H,64,82)(H,65,83)(H,66,81)(H,73,74)(H,75,76)(H,77,78)(H,87,88)/t29-,32+,33+,34+,35+,36+,37+,38+,39+,46+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Binding affinity to human biotin-labeled Keap1 Kelch domain (322 to 609 residues) expressed in Escherichia coli (DE3) by biolayer interferometry |
Eur J Med Chem 143: 1578-1589 (2018)
Article DOI: 10.1016/j.ejmech.2017.10.052
BindingDB Entry DOI: 10.7270/Q2PK0JNT |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50283797
(CHEMBL4169002)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@H](CCC(O)=O)NC2=O)[C@@H](C)O |r| Show InChI InChI=1S/C53H78N12O19/c1-26(2)20-33-45(76)55-24-39(68)57-30(13-16-38(54)67)46(77)61-34(21-27(3)4)49(80)63-36(23-43(74)75)53(84)65-19-9-12-37(65)51(82)59-32(15-18-42(72)73)48(79)64-44(28(5)66)52(83)56-25-40(69)58-31(14-17-41(70)71)47(78)62-35(50(81)60-33)22-29-10-7-6-8-11-29/h6-8,10-11,26-28,30-37,44,66H,9,12-25H2,1-5H3,(H2,54,67)(H,55,76)(H,56,83)(H,57,68)(H,58,69)(H,59,82)(H,60,81)(H,61,77)(H,62,78)(H,63,80)(H,64,79)(H,70,71)(H,72,73)(H,74,75)/t28-,30+,31+,32+,33+,34+,35+,36+,37+,44+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Binding affinity to human biotin-labeled Keap1 Kelch domain (322 to 609 residues) expressed in Escherichia coli (DE3) by biolayer interferometry |
Eur J Med Chem 143: 1578-1589 (2018)
Article DOI: 10.1016/j.ejmech.2017.10.052
BindingDB Entry DOI: 10.7270/Q2PK0JNT |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50283797
(CHEMBL4169002)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@H](CCC(O)=O)NC2=O)[C@@H](C)O |r| Show InChI InChI=1S/C53H78N12O19/c1-26(2)20-33-45(76)55-24-39(68)57-30(13-16-38(54)67)46(77)61-34(21-27(3)4)49(80)63-36(23-43(74)75)53(84)65-19-9-12-37(65)51(82)59-32(15-18-42(72)73)48(79)64-44(28(5)66)52(83)56-25-40(69)58-31(14-17-41(70)71)47(78)62-35(50(81)60-33)22-29-10-7-6-8-11-29/h6-8,10-11,26-28,30-37,44,66H,9,12-25H2,1-5H3,(H2,54,67)(H,55,76)(H,56,83)(H,57,68)(H,58,69)(H,59,82)(H,60,81)(H,61,77)(H,62,78)(H,63,80)(H,64,79)(H,70,71)(H,72,73)(H,74,75)/t28-,30+,31+,32+,33+,34+,35+,36+,37+,44+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Binding affinity to human Keap1 Kelch domain (322 to 609 residues) expressed in Escherichia coli (DE3) by isothermal titration calorimetry |
Eur J Med Chem 143: 1578-1589 (2018)
Article DOI: 10.1016/j.ejmech.2017.10.052
BindingDB Entry DOI: 10.7270/Q2PK0JNT |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50283796
(CHEMBL4174405)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(C)=O)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C55H82N12O21/c1-27(2)21-35(62-47(79)32(14-17-40(56)70)59-41(71)25-57-30(6)69)50(82)64-37(24-45(77)78)54(86)67-20-10-13-39(67)52(84)61-34(16-19-44(75)76)49(81)66-46(29(5)68)53(85)58-26-42(72)60-33(15-18-43(73)74)48(80)63-36(23-31-11-8-7-9-12-31)51(83)65-38(55(87)88)22-28(3)4/h7-9,11-12,27-29,32-39,46,68H,10,13-26H2,1-6H3,(H2,56,70)(H,57,69)(H,58,85)(H,59,71)(H,60,72)(H,61,84)(H,62,79)(H,63,80)(H,64,82)(H,65,83)(H,66,81)(H,73,74)(H,75,76)(H,77,78)(H,87,88)/t29-,32+,33+,34+,35+,36+,37+,38+,39+,46+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Binding affinity to human Keap1 Kelch domain (322 to 609 residues) expressed in Escherichia coli (DE3) by isothermal titration calorimetry |
Eur J Med Chem 143: 1578-1589 (2018)
Article DOI: 10.1016/j.ejmech.2017.10.052
BindingDB Entry DOI: 10.7270/Q2PK0JNT |
More data for this
Ligand-Target Pair | |
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