Found 262 hits of kd for UniProtKB: Q14145 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/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)) | BDBM50006930
(CHEMBL3237244)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](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)[C@@H](C)O)C(N)=O |r| Show InChI InChI=1S/C67H81N11O23S/c1-31(2)23-45(57(68)91)74-62(96)47(25-34-9-7-6-8-10-34)75-58(92)42(17-20-52(83)84)71-51(82)30-69-64(98)56(33(5)79)78-60(94)44(19-22-54(87)88)72-59(93)43(18-21-53(85)86)73-63(97)48(29-55(89)90)76-61(95)46(24-32(3)4)77-66(102)70-35-11-14-39-38(26-35)65(99)101-67(39)40-15-12-36(80)27-49(40)100-50-28-37(81)13-16-41(50)67/h6-16,26-28,31-33,42-48,56,79-81H,17-25,29-30H2,1-5H3,(H2,68,91)(H,69,98)(H,71,82)(H,72,93)(H,73,97)(H,74,96)(H,75,92)(H,76,95)(H,78,94)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H2,70,77,102)/t33-,42+,43+,44+,45+,46+,47+,48+,56+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Binding affinity to biotinylated Keap1 DC domain (unknown origin) by biolayer interferometry assay |
J Med Chem 57: 2736-45 (2014)
Article DOI: 10.1021/jm5000529
BindingDB Entry DOI: 10.7270/Q2X3500X |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50006931
(CHEMBL2402207)Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI InChI=1S/C24H22N2O6S2/c1-31-17-7-11-19(12-8-17)33(27,28)25-23-15-16-24(22-6-4-3-5-21(22)23)26-34(29,30)20-13-9-18(32-2)10-14-20/h3-16,25-26H,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 1.69E+3 | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Binding affinity to biotinylated Keap1 DC domain (unknown origin) by biolayer interferometry assay |
J Med Chem 57: 2736-45 (2014)
Article DOI: 10.1021/jm5000529
BindingDB Entry DOI: 10.7270/Q2X3500X |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50006932
(CHEMBL3237245)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI InChI=1S/C28H26N2O10S2/c1-39-19-7-11-21(12-8-19)41(35,36)29(17-27(31)32)25-15-16-26(24-6-4-3-5-23(24)25)30(18-28(33)34)42(37,38)22-13-9-20(40-2)10-14-22/h3-16H,17-18H2,1-2H3,(H,31,32)(H,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Binding affinity to biotinylated Keap1 DC domain (unknown origin) by biolayer interferometry assay |
J Med Chem 57: 2736-45 (2014)
Article DOI: 10.1021/jm5000529
BindingDB Entry DOI: 10.7270/Q2X3500X |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50006930
(CHEMBL3237244)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](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)[C@@H](C)O)C(N)=O |r| Show InChI InChI=1S/C67H81N11O23S/c1-31(2)23-45(57(68)91)74-62(96)47(25-34-9-7-6-8-10-34)75-58(92)42(17-20-52(83)84)71-51(82)30-69-64(98)56(33(5)79)78-60(94)44(19-22-54(87)88)72-59(93)43(18-21-53(85)86)73-63(97)48(29-55(89)90)76-61(95)46(24-32(3)4)77-66(102)70-35-11-14-39-38(26-35)65(99)101-67(39)40-15-12-36(80)27-49(40)100-50-28-37(81)13-16-41(50)67/h6-16,26-28,31-33,42-48,56,79-81H,17-25,29-30H2,1-5H3,(H2,68,91)(H,69,98)(H,71,82)(H,72,93)(H,73,97)(H,74,96)(H,75,92)(H,76,95)(H,78,94)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H2,70,77,102)/t33-,42+,43+,44+,45+,46+,47+,48+,56+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human Keap1 Kelch domain (321 to 609) expressed in Escherichia coli BL21(DE3)pLysS cells after 30 mins by fluorescenc... |
J Med Chem 57: 2736-45 (2014)
Article DOI: 10.1021/jm5000529
BindingDB Entry DOI: 10.7270/Q2X3500X |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50130558
(CHEMBL3632891)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](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N=C=S)[C@@H](C)O)C(N)=O |r,wU:62.63,45.46,32.33,95.101,19.20,8.8,4.3,wD:54.55,36.37,(-37.03,10.94,;-35.96,10.31,;-34.89,10.92,;-35.97,8.77,;-34.65,7.99,;-34.66,6.45,;-33.33,5.67,;-32.26,6.28,;-33.34,4.13,;-34.68,3.38,;-36.01,4.16,;-35.99,5.7,;-37.32,6.48,;-38.66,5.72,;-38.67,4.18,;-37.35,3.4,;-32.01,3.35,;-30.67,4.11,;-30.66,5.34,;-29.34,3.33,;-29.36,1.79,;-30.7,1.03,;-30.72,-.51,;-29.66,-1.13,;-31.79,-1.11,;-28,4.09,;-26.68,3.31,;-26.69,2.08,;-25.33,4.07,;-24.01,3.28,;-22.67,4.04,;-22.66,5.27,;-21.34,3.26,;-20,4.02,;-18.67,3.24,;-18.68,2.01,;-17.33,4,;-17.32,5.54,;-18.65,6.32,;-18.64,7.86,;-17.57,8.46,;-19.7,8.48,;-16,3.22,;-14.66,3.97,;-14.65,5.2,;-13.34,3.19,;-13.35,1.65,;-14.69,.9,;-14.71,-.64,;-13.65,-1.27,;-15.78,-1.25,;-11.99,3.95,;-10.67,3.17,;-10.68,1.94,;-9.33,3.93,;-9.32,5.47,;-10.64,6.25,;-11.72,5.64,;-10.64,7.48,;-8,3.15,;-6.66,3.9,;-6.65,5.14,;-5.33,3.12,;-5.35,1.58,;-6.69,.83,;-6.7,-.4,;-7.75,1.45,;-3.99,3.88,;-2.66,3.1,;-2.67,2.07,;-1.32,3.86,;-1.31,5.4,;.03,6.16,;1.35,5.38,;1.34,3.84,;0,3.08,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;.03,7.7,;-1.3,8.48,;-2.36,9.1,;-21.36,1.72,;-20.3,1.09,;-22.43,1.12,;-33.31,8.76,;-32.25,8.14,;-33.3,9.99,)| Show InChI InChI=1S/C67H79N11O22S/c1-32(2)23-46(59(68)91)74-65(97)48(25-35-9-7-6-8-10-35)76-61(93)43(17-20-53(83)84)71-52(82)30-69-67(99)58(34(5)79)78-63(95)45(19-22-55(87)88)72-62(94)44(18-21-54(85)86)73-66(98)49(29-56(89)90)77-64(96)47(24-33(3)4)75-60(92)42-26-36(70-31-101)11-14-39(42)57-40-15-12-37(80)27-50(40)100-51-28-38(81)13-16-41(51)57/h6-16,26-28,32-34,43-49,58,79-80H,17-25,29-30H2,1-5H3,(H2,68,91)(H,69,99)(H,71,82)(H,72,94)(H,73,98)(H,74,97)(H,75,92)(H,76,93)(H,77,96)(H,78,95)(H,83,84)(H,85,86)(H,87,88)(H,89,90)/t34-,43+,44+,45+,46+,47+,48+,49+,58+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Binding affinity to the Keap1 (321 to 609 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by surface plasmon resonance assa... |
Eur J Med Chem 103: 252-68 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.049
BindingDB Entry DOI: 10.7270/Q25B04BR |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50130558
(CHEMBL3632891)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](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N=C=S)[C@@H](C)O)C(N)=O |r,wU:62.63,45.46,32.33,95.101,19.20,8.8,4.3,wD:54.55,36.37,(-37.03,10.94,;-35.96,10.31,;-34.89,10.92,;-35.97,8.77,;-34.65,7.99,;-34.66,6.45,;-33.33,5.67,;-32.26,6.28,;-33.34,4.13,;-34.68,3.38,;-36.01,4.16,;-35.99,5.7,;-37.32,6.48,;-38.66,5.72,;-38.67,4.18,;-37.35,3.4,;-32.01,3.35,;-30.67,4.11,;-30.66,5.34,;-29.34,3.33,;-29.36,1.79,;-30.7,1.03,;-30.72,-.51,;-29.66,-1.13,;-31.79,-1.11,;-28,4.09,;-26.68,3.31,;-26.69,2.08,;-25.33,4.07,;-24.01,3.28,;-22.67,4.04,;-22.66,5.27,;-21.34,3.26,;-20,4.02,;-18.67,3.24,;-18.68,2.01,;-17.33,4,;-17.32,5.54,;-18.65,6.32,;-18.64,7.86,;-17.57,8.46,;-19.7,8.48,;-16,3.22,;-14.66,3.97,;-14.65,5.2,;-13.34,3.19,;-13.35,1.65,;-14.69,.9,;-14.71,-.64,;-13.65,-1.27,;-15.78,-1.25,;-11.99,3.95,;-10.67,3.17,;-10.68,1.94,;-9.33,3.93,;-9.32,5.47,;-10.64,6.25,;-11.72,5.64,;-10.64,7.48,;-8,3.15,;-6.66,3.9,;-6.65,5.14,;-5.33,3.12,;-5.35,1.58,;-6.69,.83,;-6.7,-.4,;-7.75,1.45,;-3.99,3.88,;-2.66,3.1,;-2.67,2.07,;-1.32,3.86,;-1.31,5.4,;.03,6.16,;1.35,5.38,;1.34,3.84,;0,3.08,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;.03,7.7,;-1.3,8.48,;-2.36,9.1,;-21.36,1.72,;-20.3,1.09,;-22.43,1.12,;-33.31,8.76,;-32.25,8.14,;-33.3,9.99,)| Show InChI InChI=1S/C67H79N11O22S/c1-32(2)23-46(59(68)91)74-65(97)48(25-35-9-7-6-8-10-35)76-61(93)43(17-20-53(83)84)71-52(82)30-69-67(99)58(34(5)79)78-63(95)45(19-22-55(87)88)72-62(94)44(18-21-54(85)86)73-66(98)49(29-56(89)90)77-64(96)47(24-33(3)4)75-60(92)42-26-36(70-31-101)11-14-39(42)57-40-15-12-37(80)27-50(40)100-51-28-38(81)13-16-41(51)57/h6-16,26-28,32-34,43-49,58,79-80H,17-25,29-30H2,1-5H3,(H2,68,91)(H,69,99)(H,71,82)(H,72,94)(H,73,98)(H,74,97)(H,75,92)(H,76,93)(H,77,96)(H,78,95)(H,83,84)(H,85,86)(H,87,88)(H,89,90)/t34-,43+,44+,45+,46+,47+,48+,49+,58+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Binding affinity to the Keap1 (unknown origin) by surface plasmon resonance assay |
Eur J Med Chem 103: 252-68 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.049
BindingDB Entry DOI: 10.7270/Q25B04BR |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50180850
(CHEMBL3819587)Show SMILES COc1cc(cc2nnn(C)c12)[C@@H](CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3S2(=O)=O)c1 |r| Show InChI InChI=1S/C28H30N4O6S/c1-17-9-10-19(22(14-27(33)34)20-12-23-28(25(13-20)37-4)31(3)30-29-23)11-21(17)16-32-15-18(2)38-24-7-5-6-8-26(24)39(32,35)36/h5-13,18,22H,14-16H2,1-4H3,(H,33,34)/t18-,22+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant N-terminal His6 and Avi-tagged KEAP1 (321 to 609 residues) expressed in baculovirus infected sf9 cells by isoth... |
J Med Chem 59: 3991-4006 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00228
BindingDB Entry DOI: 10.7270/Q25T3NDT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50180851
(CHEMBL3818085 | US10144731, Example 54)Show SMILES CN(Cc1cc(ccc1Cl)[C@H](CC(O)=O)c1ccc2n(C)nnc2c1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C24H23ClN4O4S/c1-28(34(32,33)19-6-4-3-5-7-19)15-18-12-16(8-10-21(18)25)20(14-24(30)31)17-9-11-23-22(13-17)26-27-29(23)2/h3-13,20H,14-15H2,1-2H3,(H,30,31)/t20-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant N-terminal His6 and Avi-tagged KEAP1 (321 to 609 residues) expressed in baculovirus infected sf9 cells by isoth... |
J Med Chem 59: 3991-4006 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00228
BindingDB Entry DOI: 10.7270/Q25T3NDT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50180852
(CHEMBL3819169 | US10144731, Example 136)Show SMILES CN(Cc1cc(ccc1Cl)C(CC(O)=O)c1ccc2n(C)nnc2c1)S(C)(=O)=O Show InChI InChI=1S/C19H21ClN4O4S/c1-23(29(3,27)28)11-14-8-12(4-6-16(14)20)15(10-19(25)26)13-5-7-18-17(9-13)21-22-24(18)2/h4-9,15H,10-11H2,1-3H3,(H,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant N-terminal His6 and Avi-tagged KEAP1 (321 to 609 residues) expressed in baculovirus infected sf9 cells by isoth... |
J Med Chem 59: 3991-4006 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00228
BindingDB Entry DOI: 10.7270/Q25T3NDT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50180853
(CHEMBL3819386)Show InChI InChI=1S/C16H14ClN3O2/c1-20-15-7-4-11(8-14(15)18-19-20)13(9-16(21)22)10-2-5-12(17)6-3-10/h2-8,13H,9H2,1H3,(H,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 5.90E+4 | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant N-terminal His6 and Avi-tagged KEAP1 (321 to 609 residues) expressed in baculovirus infected sf9 cells by isoth... |
J Med Chem 59: 3991-4006 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00228
BindingDB Entry DOI: 10.7270/Q25T3NDT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50200465
(CHEMBL3975863)Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C46H70N10O18/c1-22(2)17-26(47)40(68)54-32(20-37(65)66)45(73)52-28(12-15-35(61)62)42(70)51-29(13-16-36(63)64)43(71)56-38(24(5)57)46(74)49-21-33(58)50-27(11-14-34(59)60)41(69)55-31(19-25-9-7-6-8-10-25)44(72)53-30(39(48)67)18-23(3)4/h6-10,22-24,26-32,38,57H,11-21,47H2,1-5H3,(H2,48,67)(H,49,74)(H,50,58)(H,51,70)(H,52,73)(H,53,72)(H,54,68)(H,55,69)(H,56,71)(H,59,60)(H,61,62)(H,63,64)(H,65,66)/t24-,26+,27+,28+,29+,30+,31+,32+,38+/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 | 355 | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human Keap1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21(DE3)pLysS by SPR-based solution com... |
J Med Chem 59: 10837-10858 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00586
BindingDB Entry DOI: 10.7270/Q2377BPQ |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50006933
(CHEMBL3134422)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](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(N)=O |r| Show InChI InChI=1S/C48H72N10O19/c1-23(2)18-31(41(49)70)55-46(75)33(20-27-10-8-7-9-11-27)56-42(71)28(12-15-36(62)63)52-35(61)22-50-48(77)40(25(5)59)58-44(73)30(14-17-38(66)67)53-43(72)29(13-16-37(64)65)54-47(76)34(21-39(68)69)57-45(74)32(19-24(3)4)51-26(6)60/h7-11,23-25,28-34,40,59H,12-22H2,1-6H3,(H2,49,70)(H,50,77)(H,51,60)(H,52,61)(H,53,72)(H,54,76)(H,55,75)(H,56,71)(H,57,74)(H,58,73)(H,62,63)(H,64,65)(H,66,67)(H,68,69)/t25-,28+,29+,30+,31+,32+,33+,34+,40+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
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 recombinant human Keap1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21(DE3)pLysS by SPR-based solution com... |
J Med Chem 59: 10837-10858 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00586
BindingDB Entry DOI: 10.7270/Q2377BPQ |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50200466
(CHEMBL3913014)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSSC[C@H](NC1=O)C(O)=O)NC(C)=O)[C@@H](C)O |r| Show InChI InChI=1S/C54H79N11O21S2/c1-25(2)18-33-47(78)62-36(21-43(74)75)53(84)65-17-7-8-39(65)51(82)58-32(14-16-42(72)73)46(77)64-44(27(5)66)52(83)55-22-40(69)57-31(13-15-41(70)71)45(76)61-35(20-29-9-11-30(68)12-10-29)49(80)59-34(19-26(3)4)48(79)63-38(54(85)86)24-88-87-23-37(50(81)60-33)56-28(6)67/h9-12,25-27,31-39,44,66,68H,7-8,13-24H2,1-6H3,(H,55,83)(H,56,67)(H,57,69)(H,58,82)(H,59,80)(H,60,81)(H,61,76)(H,62,78)(H,63,79)(H,64,77)(H,70,71)(H,72,73)(H,74,75)(H,85,86)/t27-,31+,32+,33+,34+,35+,36+,37+,38+,39+,44+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Binding affinity to Keap1 (unknown origin) Kelch domain by ITC assay |
J Med Chem 59: 10837-10858 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00586
BindingDB Entry DOI: 10.7270/Q2377BPQ |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50200464
(CHEMBL3982888)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)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/C48H71N9O19/c1-23(2)18-31(50-26(6)59)43(70)54-33(21-39(66)67)47(74)57-17-7-8-35(57)45(72)52-30(14-16-38(64)65)42(69)56-40(25(5)58)46(73)49-22-36(61)51-29(13-15-37(62)63)41(68)53-32(20-27-9-11-28(60)12-10-27)44(71)55-34(48(75)76)19-24(3)4/h9-12,23-25,29-35,40,58,60H,7-8,13-22H2,1-6H3,(H,49,73)(H,50,59)(H,51,61)(H,52,72)(H,53,68)(H,54,70)(H,55,71)(H,56,69)(H,62,63)(H,64,65)(H,66,67)(H,75,76)/t25-,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
| 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) Kelch domain by ITC assay |
J Med Chem 59: 10837-10858 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00586
BindingDB Entry DOI: 10.7270/Q2377BPQ |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50200469
(CHEMBL3946551)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCNC(=O)c1ccc(cc1C1c2ccc(O)cc2Oc2cc(O)ccc12)N=C=S)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C58H63N9O22S/c1-28(68)51(57(86)60-26-45(72)62-37(13-16-46(73)74)53(82)66-41(58(87)88)21-29-5-3-2-4-6-29)67-55(84)39(15-18-48(77)78)64-54(83)38(14-17-47(75)76)65-56(85)40(25-49(79)80)63-44(71)19-20-59-52(81)33-10-7-30(61-27-90)22-36(33)50-34-11-8-31(69)23-42(34)89-43-24-32(70)9-12-35(43)50/h2-12,22-24,28,37-41,50-51,68-70H,13-21,25-26H2,1H3,(H,59,81)(H,60,86)(H,62,72)(H,63,71)(H,64,83)(H,65,85)(H,66,82)(H,67,84)(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,87,88)/t28-,37+,38+,39+,40+,41+,51+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Binding affinity to His-tagged Keap1 (unknown origin) Kelch domain expressed in Escherichia coli BL21(DE3) pLysS by ITC assay |
J Med Chem 59: 10837-10858 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00586
BindingDB Entry DOI: 10.7270/Q2377BPQ |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50200472
(CHEMBL3966742)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](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1C1c2ccc(O)cc2Oc2cc(O)ccc12)N=C=S)[C@@H](C)O)C(N)=O |r| Show InChI InChI=1S/C67H81N11O22S/c1-32(2)23-46(59(68)91)74-65(97)48(25-35-9-7-6-8-10-35)76-61(93)43(17-20-53(83)84)71-52(82)30-69-67(99)58(34(5)79)78-63(95)45(19-22-55(87)88)72-62(94)44(18-21-54(85)86)73-66(98)49(29-56(89)90)77-64(96)47(24-33(3)4)75-60(92)39-14-11-36(70-31-101)26-42(39)57-40-15-12-37(80)27-50(40)100-51-28-38(81)13-16-41(51)57/h6-16,26-28,32-34,43-49,57-58,79-81H,17-25,29-30H2,1-5H3,(H2,68,91)(H,69,99)(H,71,82)(H,72,94)(H,73,98)(H,74,97)(H,75,92)(H,76,93)(H,77,96)(H,78,95)(H,83,84)(H,85,86)(H,87,88)(H,89,90)/t34-,43+,44+,45+,46+,47+,48+,49+,58+/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 | 26 | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human Keap1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21(DE3)pLysS by fluorescence polarizat... |
J Med Chem 59: 10837-10858 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00586
BindingDB Entry DOI: 10.7270/Q2377BPQ |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50200467
(CHEMBL3899754)Show SMILES Cc1cc(C)c(C)c(c1C)S(=O)(=O)Nc1ccc(N2CC[C@@H](C2)C(O)=O)c2ccccc12 |r| Show InChI InChI=1S/C25H28N2O4S/c1-15-13-16(2)18(4)24(17(15)3)32(30,31)26-22-9-10-23(21-8-6-5-7-20(21)22)27-12-11-19(14-27)25(28)29/h5-10,13,19,26H,11-12,14H2,1-4H3,(H,28,29)/t19-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| Purchase
CHEMBL
MCE
PC cid
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UniChem
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| PDB
Article
PubMed
| n/a | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Inhibition of human Keap1 kelch domain binding to Nrf2-ETGE peptide by ITC assay |
J Med Chem 61: 8088-8103 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00358
BindingDB Entry DOI: 10.7270/Q2CJ8H17 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM335554
(US9737525, Compound MIND4-17)Show SMILES [O-][N+](=O)c1ccc(Sc2nnc(COc3ccccc3)n2-c2ccccc2)nc1 Show InChI InChI=1S/C20H15N5O3S/c26-25(27)16-11-12-19(21-13-16)29-20-23-22-18(14-28-17-9-5-2-6-10-17)24(20)15-7-3-1-4-8-15/h1-13H,14H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.65E+4 | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human Keap1 by SPR assay |
J Med Chem 61: 8088-8103 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00358
BindingDB Entry DOI: 10.7270/Q2CJ8H17 |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM333453
(US9737525, Compound MIND4)Show SMILES [O-][N+](=O)c1ccc(Sc2nnc(COc3ccccc3)n2-c2ccccc2)c2ncccc12 Show InChI InChI=1S/C24H17N5O3S/c30-29(31)20-13-14-21(23-19(20)12-7-15-25-23)33-24-27-26-22(16-32-18-10-5-2-6-11-18)28(24)17-8-3-1-4-9-17/h1-15H,16H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.28E+4 | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human Keap1 by SPR assay |
J Med Chem 61: 8088-8103 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00358
BindingDB Entry DOI: 10.7270/Q2CJ8H17 |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50369358
(CHEMBL4173296)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1nnc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI InChI=1S/C26H24N4O10S2/c1-39-17-7-11-19(12-8-17)41(35,36)29(15-23(31)32)25-21-5-3-4-6-22(21)26(28-27-25)30(16-24(33)34)42(37,38)20-13-9-18(40-2)10-14-20/h3-14H,15-16H2,1-2H3,(H,31,32)(H,33,34) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Binding affinity to Keap1 Kelch domain (unknown origin) by surface plasmon resonance assay |
J Med Chem 61: 8029-8047 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01133
BindingDB Entry DOI: 10.7270/Q2G163CR |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50369387
(CHEMBL4166445)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ncccc12 Show InChI InChI=1S/C27H25N3O10S2/c1-39-18-5-9-20(10-6-18)41(35,36)29(16-25(31)32)23-13-14-24(27-22(23)4-3-15-28-27)30(17-26(33)34)42(37,38)21-11-7-19(40-2)8-12-21/h3-15H,16-17H2,1-2H3,(H,31,32)(H,33,34) | 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 | 103 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Binding affinity to Keap1 Kelch domain (unknown origin) by surface plasmon resonance assay |
J Med Chem 61: 8029-8047 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01133
BindingDB Entry DOI: 10.7270/Q2G163CR |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM561983
(BDBM50369389 | US11396496, Compound A1)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1cnc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Binding affinity to Keap1 Kelch domain (unknown origin) by surface plasmon resonance assay |
J Med Chem 61: 8029-8047 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01133
BindingDB Entry DOI: 10.7270/Q2G163CR |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50006932
(CHEMBL3237245)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI InChI=1S/C28H26N2O10S2/c1-39-19-7-11-21(12-8-19)41(35,36)29(17-27(31)32)25-15-16-26(24-6-4-3-5-23(24)25)30(18-28(33)34)42(37,38)22-13-9-20(40-2)10-14-22/h3-16H,17-18H2,1-2H3,(H,31,32)(H,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Binding affinity to Keap1 Kelch domain (unknown origin) by surface plasmon resonance assay |
J Med Chem 61: 8029-8047 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01133
BindingDB Entry DOI: 10.7270/Q2G163CR |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50006931
(CHEMBL2402207)Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI InChI=1S/C24H22N2O6S2/c1-31-17-7-11-19(12-8-17)33(27,28)25-23-15-16-24(22-6-4-3-5-21(22)23)26-34(29,30)20-13-9-18(32-2)10-14-20/h3-16,25-26H,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
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| PDB
Article
PubMed
| n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Binding affinity to Keap1 Kelch domain (unknown origin) by surface plasmon resonance assay |
J Med Chem 61: 8029-8047 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01133
BindingDB Entry DOI: 10.7270/Q2G163CR |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50130549
(CHEMBL3632711)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(N)=O)c1ccc(N(CC(N)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI InChI=1S/C28H28N4O8S2/c1-39-19-7-11-21(12-8-19)41(35,36)31(17-27(29)33)25-15-16-26(24-6-4-3-5-23(24)25)32(18-28(30)34)42(37,38)22-13-9-20(40-2)10-14-22/h3-16H,17-18H2,1-2H3,(H2,29,33)(H2,30,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Binding affinity to Keap1 Kelch domain (unknown origin) by surface plasmon resonance assay |
J Med Chem 61: 8029-8047 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01133
BindingDB Entry DOI: 10.7270/Q2G163CR |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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 | 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)) | 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)) | 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 | |
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)) | BDBM50295169
(CHEMBL4177337)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)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](CCCNC(N)=N)C(=O)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](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C169H270N62O59/c1-77(2)63-105(150(278)214-95(24-15-59-195-167(184)185)141(269)212-93(22-13-57-193-165(180)181)139(267)210-91(20-11-55-191-163(176)177)137(265)208-90(19-10-54-190-162(174)175)136(264)209-92(21-12-56-192-164(178)179)138(266)211-94(23-14-58-194-166(182)183)140(268)213-96(25-16-60-196-168(186)187)142(270)221-104(161(289)290)26-17-61-197-169(188)189)223-154(282)109(67-86-32-38-89(239)39-33-86)225-143(271)98(44-51-124(248)249)205-122(246)74-201-158(286)130(81(7)234)230-148(276)103(46-53-126(252)253)220-157(285)115-27-18-62-231(115)160(288)112(70-129(258)259)228-151(279)106(64-78(3)4)224-156(284)114(76-233)207-123(247)73-200-135(263)113(75-232)206-121(245)72-198-120(244)71-199-134(262)97(40-47-116(170)240)215-145(273)102(45-52-125(250)251)219-155(283)111(69-128(256)257)222-132(260)79(5)203-159(287)131(82(8)235)229-133(261)80(6)202-149(277)110(68-127(254)255)227-147(275)101(43-50-119(173)243)218-153(281)108(66-85-30-36-88(238)37-31-85)226-146(274)100(42-49-118(172)242)216-144(272)99(41-48-117(171)241)217-152(280)107(204-83(9)236)65-84-28-34-87(237)35-29-84/h28-39,77-82,90-115,130-131,232-235,237-239H,10-27,40-76H2,1-9H3,(H2,170,240)(H2,171,241)(H2,172,242)(H2,173,243)(H,198,244)(H,199,262)(H,200,263)(H,201,286)(H,202,277)(H,203,287)(H,204,236)(H,205,246)(H,206,245)(H,207,247)(H,208,265)(H,209,264)(H,210,267)(H,211,266)(H,212,269)(H,213,268)(H,214,278)(H,215,273)(H,216,272)(H,217,280)(H,218,281)(H,219,283)(H,220,285)(H,221,270)(H,222,260)(H,223,282)(H,224,284)(H,225,271)(H,226,274)(H,227,275)(H,228,279)(H,229,261)(H,230,276)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,289,290)(H4,174,175,190)(H4,176,177,191)(H4,178,179,192)(H4,180,181,193)(H4,182,183,194)(H4,184,185,195)(H4,186,187,196)(H4,188,189,197)/t79-,80-,81+,82+,90+,91+,92+,93+,94+,95+,96+,97-,98-,99-,100-,101-,102-,103-,104+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,130-,131-/m0/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 | 23 | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Binding affinity to human Keap1 (322 to 609 residues) by ITC method |
Eur J Med Chem 146: 251-259 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.063
BindingDB Entry DOI: 10.7270/Q2QZ2DH7 |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50491278
(CHEMBL2381970)Show SMILES OC(=O)C1CCCCC1C(=O)N1CCc2ccccc2C1CN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C26H26N2O5/c29-23(20-11-5-6-12-21(20)26(32)33)27-14-13-16-7-1-2-8-17(16)22(27)15-28-24(30)18-9-3-4-10-19(18)25(28)31/h1-4,7-10,20-22H,5-6,11-15H2,(H,32,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 7.00E+5 | n/a | n/a | n/a | n/a | n/a |
The State University of New Jersey
Curated by ChEMBL
| Assay Description
Binding affinity to Keap1 kelch domain (unknown origin) by competitive SPR assay |
Bioorg Med Chem Lett 23: 3039-43 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.013
BindingDB Entry DOI: 10.7270/Q2V98C02 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50109398
(CHEMBL2381968)Show SMILES OC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O |r| Show InChI InChI=1S/C26H26N2O5/c29-23(20-11-5-6-12-21(20)26(32)33)27-14-13-16-7-1-2-8-17(16)22(27)15-28-24(30)18-9-3-4-10-19(18)25(28)31/h1-4,7-10,20-22H,5-6,11-15H2,(H,32,33)/t20-,21+,22-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a |
The State University of New Jersey
Curated by ChEMBL
| Assay Description
Binding affinity to Keap1 kelch domain (unknown origin) by competitive SPR assay |
Bioorg Med Chem Lett 23: 3039-43 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.013
BindingDB Entry DOI: 10.7270/Q2V98C02 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50491279
(CHEMBL2381969)Show SMILES OC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O |r| Show InChI InChI=1S/C26H26N2O5/c29-23(20-11-5-6-12-21(20)26(32)33)27-14-13-16-7-1-2-8-17(16)22(27)15-28-24(30)18-9-3-4-10-19(18)25(28)31/h1-4,7-10,20-22H,5-6,11-15H2,(H,32,33)/t20-,21+,22-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a |
The State University of New Jersey
Curated by ChEMBL
| Assay Description
Binding affinity to Keap1 kelch domain (unknown origin) by competitive SPR assay |
Bioorg Med Chem Lett 23: 3039-43 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.013
BindingDB Entry DOI: 10.7270/Q2V98C02 |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50491280
(CHEMBL1460757)Show SMILES OC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc2C1CN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C26H26N2O5/c29-23(20-11-5-6-12-21(20)26(32)33)27-14-13-16-7-1-2-8-17(16)22(27)15-28-24(30)18-9-3-4-10-19(18)25(28)31/h1-4,7-10,20-22H,5-6,11-15H2,(H,32,33)/t20-,21+,22?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a |
The State University of New Jersey
Curated by ChEMBL
| Assay Description
Binding affinity to Keap1 kelch domain (unknown origin) by competitive SPR assay |
Bioorg Med Chem Lett 23: 3039-43 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.013
BindingDB Entry DOI: 10.7270/Q2V98C02 |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50521640
(CHEMBL4473977)Show SMILES CN(Cc1cc(ccc1C)C(CC(O)=O)c1ccc2n(C)nnc2c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C25H26N4O4S/c1-17-9-10-18(13-20(17)16-28(2)34(32,33)21-7-5-4-6-8-21)22(15-25(30)31)19-11-12-24-23(14-19)26-27-29(24)3/h4-14,22H,15-16H2,1-3H3,(H,30,31) | PDB
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| Article
PubMed
| n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal His6-tagged KEAP1 Kelch domain (321 to 609 residues) expressed in baculovirus infected Sf9 insect cells by isoth... |
J Med Chem 62: 4683-4702 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00279
BindingDB Entry DOI: 10.7270/Q2PK0KKB |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM304837
(3-(7-methoxy-1-methyl-1H-1,2,3-benzotriazol-5-yl)-...)Show SMILES COc1cc(cc2nnn(C)c12)C(CC(O)=O)c1ccc(C)c(CN(C)S(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C26H28N4O5S/c1-17-10-11-18(12-20(17)16-29(2)36(33,34)21-8-6-5-7-9-21)22(15-25(31)32)19-13-23-26(24(14-19)35-4)30(3)28-27-23/h5-14,22H,15-16H2,1-4H3,(H,31,32) | PDB
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| PDB
Article
PubMed
| n/a | n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal His6-tagged KEAP1 Kelch domain (321 to 609 residues) expressed in baculovirus infected Sf9 insect cells by isoth... |
J Med Chem 62: 4683-4702 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00279
BindingDB Entry DOI: 10.7270/Q2PK0KKB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM304768
(3-(3-((1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]o...)Show SMILES COc1cc(cc2nnn(C)c12)C(CC(O)=O)c1ccc(C)c(CN2CCOc3ccccc3S2(=O)=O)c1 Show InChI InChI=1S/C27H28N4O6S/c1-17-8-9-18(12-20(17)16-31-10-11-37-23-6-4-5-7-25(23)38(31,34)35)21(15-26(32)33)19-13-22-27(24(14-19)36-3)30(2)29-28-22/h4-9,12-14,21H,10-11,15-16H2,1-3H3,(H,32,33) | PDB
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| PDB
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PubMed
| n/a | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal His6-tagged KEAP1 Kelch domain (321 to 609 residues) expressed in baculovirus infected Sf9 insect cells by isoth... |
J Med Chem 62: 4683-4702 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00279
BindingDB Entry DOI: 10.7270/Q2PK0KKB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50516724
(CHEMBL4588743)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N2CCC[C@H]2C(O)=O)c2ccccc12 |r| Show InChI InChI=1S/C24H24N2O7S/c1-33-16-8-10-17(11-9-16)34(31,32)26(15-23(27)28)21-13-12-20(18-5-2-3-6-19(18)21)25-14-4-7-22(25)24(29)30/h2-3,5-6,8-13,22H,4,7,14-15H2,1H3,(H,27,28)(H,29,30)/t22-/m0/s1 | PDB
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| n/a | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Binding affinity to biotinylated human KEAP1 Kelch domain (322 to 609 residues) by biolayer interferometry |
J Med Chem 62: 6796-6813 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00818
BindingDB Entry DOI: 10.7270/Q2CR5XQ3 |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50200467
(CHEMBL3899754)Show SMILES Cc1cc(C)c(C)c(c1C)S(=O)(=O)Nc1ccc(N2CC[C@@H](C2)C(O)=O)c2ccccc12 |r| Show InChI InChI=1S/C25H28N2O4S/c1-15-13-16(2)18(4)24(17(15)3)32(30,31)26-22-9-10-23(21-8-6-5-7-20(21)22)27-12-11-19(14-27)25(28)29/h5-10,13,19,26H,11-12,14H2,1-4H3,(H,28,29)/t19-/m0/s1 | PDB
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PubMed
| n/a | n/a | n/a | 6.00E+3 | 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) by isothermal titration calorimetric method |
J Med Chem 62: 6796-6813 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00818
BindingDB Entry DOI: 10.7270/Q2CR5XQ3 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50516724
(CHEMBL4588743)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N2CCC[C@H]2C(O)=O)c2ccccc12 |r| Show InChI InChI=1S/C24H24N2O7S/c1-33-16-8-10-17(11-9-16)34(31,32)26(15-23(27)28)21-13-12-20(18-5-2-3-6-19(18)21)25-14-4-7-22(25)24(29)30/h2-3,5-6,8-13,22H,4,7,14-15H2,1H3,(H,27,28)(H,29,30)/t22-/m0/s1 | PDB
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| Article
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| n/a | n/a | n/a | 54 | 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) by isothermal titration calorimetric method |
J Med Chem 62: 6796-6813 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00818
BindingDB Entry DOI: 10.7270/Q2CR5XQ3 |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50497007
(CHEMBL3235898)Show SMILES OC(=O)c1ccc(cc1Cl)-c1ccc(\C=C2\C(=O)NN(C2=O)c2cccc(Cl)c2)o1 Show InChI InChI=1S/C21H12Cl2N2O5/c22-12-2-1-3-13(9-12)25-20(27)16(19(26)24-25)10-14-5-7-18(30-14)11-4-6-15(21(28)29)17(23)8-11/h1-10H,(H,24,26)(H,28,29)/b16-10- | PDB
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| n/a | n/a | n/a | >1.50E+5 | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance ... |
J Med Chem 62: 8028-8052 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00723
BindingDB Entry DOI: 10.7270/Q20R9SSF |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50180850
(CHEMBL3819587)Show SMILES COc1cc(cc2nnn(C)c12)[C@@H](CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3S2(=O)=O)c1 |r| Show InChI InChI=1S/C28H30N4O6S/c1-17-9-10-19(22(14-27(33)34)20-12-23-28(25(13-20)37-4)31(3)30-29-23)11-21(17)16-32-15-18(2)38-24-7-5-6-8-26(24)39(32,35)36/h5-13,18,22H,14-16H2,1-4H3,(H,33,34)/t18-,22+/m1/s1 | PDB
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| n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance ... |
J Med Chem 62: 8028-8052 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00723
BindingDB Entry DOI: 10.7270/Q20R9SSF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50498210
(CHEMBL3423015)Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C46H69N9O19/c1-22(2)17-26(47)39(66)52-31(20-37(64)65)44(71)51-28(12-15-35(60)61)41(68)50-29(13-16-36(62)63)42(69)55-38(24(5)56)45(72)48-21-33(57)49-27(11-14-34(58)59)40(67)53-30(19-25-9-7-6-8-10-25)43(70)54-32(46(73)74)18-23(3)4/h6-10,22-24,26-32,38,56H,11-21,47H2,1-5H3,(H,48,72)(H,49,57)(H,50,68)(H,51,71)(H,52,66)(H,53,67)(H,54,70)(H,55,69)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,73,74)/t24-,26+,27+,28+,29+,30+,31+,32+,38+/m1/s1 | PDB
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| n/a | n/a | n/a | 352 | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance ... |
J Med Chem 62: 8028-8052 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00723
BindingDB Entry DOI: 10.7270/Q20R9SSF |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM415709
(Ac-LDEETGEFL-OH | US10442759, Compound Nrf2 9mer ...)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](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(O)=O Show InChI InChI=1S/C48H71N9O20/c1-23(2)18-31(50-26(6)59)44(72)55-33(21-39(67)68)46(74)53-29(13-16-37(63)64)42(70)52-30(14-17-38(65)66)43(71)57-40(25(5)58)47(75)49-22-35(60)51-28(12-15-36(61)62)41(69)54-32(20-27-10-8-7-9-11-27)45(73)56-34(48(76)77)19-24(3)4/h7-11,23-25,28-34,40,58H,12-22H2,1-6H3,(H,49,75)(H,50,59)(H,51,60)(H,52,70)(H,53,74)(H,54,69)(H,55,72)(H,56,73)(H,57,71)(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H,76,77)/t25-,28+,29+,30+,31+,32+,33+,34+,40+/m1/s1 | PDB
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| Article
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| n/a | n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance ... |
J Med Chem 62: 8028-8052 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00723
BindingDB Entry DOI: 10.7270/Q20R9SSF |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50006931
(CHEMBL2402207)Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI InChI=1S/C24H22N2O6S2/c1-31-17-7-11-19(12-8-17)33(27,28)25-23-15-16-24(22-6-4-3-5-21(22)23)26-34(29,30)20-13-9-18(32-2)10-14-20/h3-16,25-26H,1-2H3 | PDB
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PubMed
| n/a | n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance ... |
J Med Chem 62: 8028-8052 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00723
BindingDB Entry DOI: 10.7270/Q20R9SSF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50006932
(CHEMBL3237245)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI InChI=1S/C28H26N2O10S2/c1-39-19-7-11-21(12-8-19)41(35,36)29(17-27(31)32)25-15-16-26(24-6-4-3-5-23(24)25)30(18-28(33)34)42(37,38)22-13-9-20(40-2)10-14-22/h3-16H,17-18H2,1-2H3,(H,31,32)(H,33,34) | PDB
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| n/a | n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance ... |
J Med Chem 62: 8028-8052 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00723
BindingDB Entry DOI: 10.7270/Q20R9SSF |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50200467
(CHEMBL3899754)Show SMILES Cc1cc(C)c(C)c(c1C)S(=O)(=O)Nc1ccc(N2CC[C@@H](C2)C(O)=O)c2ccccc12 |r| Show InChI InChI=1S/C25H28N2O4S/c1-15-13-16(2)18(4)24(17(15)3)32(30,31)26-22-9-10-23(21-8-6-5-7-20(21)22)27-12-11-19(14-27)25(28)29/h5-10,13,19,26H,11-12,14H2,1-4H3,(H,28,29)/t19-/m0/s1 | PDB
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| n/a | n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance ... |
J Med Chem 62: 8028-8052 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00723
BindingDB Entry DOI: 10.7270/Q20R9SSF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50120421
(CHEMBL2402206)Show SMILES Cc1ccc(c(C)c1)S(=O)(=O)c1cnc(SCC(=O)Nc2ccccc2C(F)(F)F)[nH]c1=O Show InChI InChI=1S/C21H18F3N3O4S2/c1-12-7-8-16(13(2)9-12)33(30,31)17-10-25-20(27-19(17)29)32-11-18(28)26-15-6-4-3-5-14(15)21(22,23)24/h3-10H,11H2,1-2H3,(H,26,28)(H,25,27,29) | PDB
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PubMed
| n/a | n/a | n/a | 5.10E+4 | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance ... |
J Med Chem 62: 8028-8052 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00723
BindingDB Entry DOI: 10.7270/Q20R9SSF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50180850
(CHEMBL3819587)Show SMILES COc1cc(cc2nnn(C)c12)[C@@H](CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3S2(=O)=O)c1 |r| Show InChI InChI=1S/C28H30N4O6S/c1-17-9-10-19(22(14-27(33)34)20-12-23-28(25(13-20)37-4)31(3)30-29-23)11-21(17)16-32-15-18(2)38-24-7-5-6-8-26(24)39(32,35)36/h5-13,18,22H,14-16H2,1-4H3,(H,33,34)/t18-,22+/m1/s1 | PDB
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| n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation rate... |
J Med Chem 62: 8028-8052 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00723
BindingDB Entry DOI: 10.7270/Q20R9SSF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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