Found 42 hits Enz. Inhib. hit(s) with all data for entry = 50010490 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 |
|---|
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50539550
(CHEMBL4643134)Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C |r| Show InChI InChI=1S/C32H36N4O3/c1-7-36-28-11-10-26(22(6)31(28)33-34-36)27(16-29(37)38)24-9-8-23-12-13-35(17-25(23)15-24)32(39)30-20(4)18(2)14-19(3)21(30)5/h8-11,14-15,27H,7,12-13,16-17H2,1-6H3,(H,37,38)/t27-/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50539550
(CHEMBL4643134)Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C |r| Show InChI InChI=1S/C32H36N4O3/c1-7-36-28-11-10-26(22(6)31(28)33-34-36)27(16-29(37)38)24-9-8-23-12-13-35(17-25(23)15-24)32(39)30-20(4)18(2)14-19(3)21(30)5/h8-11,14-15,27H,7,12-13,16-17H2,1-6H3,(H,37,38)/t27-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50539550
(CHEMBL4643134)Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C |r| Show InChI InChI=1S/C32H36N4O3/c1-7-36-28-11-10-26(22(6)31(28)33-34-36)27(16-29(37)38)24-9-8-23-12-13-35(17-25(23)15-24)32(39)30-20(4)18(2)14-19(3)21(30)5/h8-11,14-15,27H,7,12-13,16-17H2,1-6H3,(H,37,38)/t27-/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50539550
(CHEMBL4643134)Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C |r| Show InChI InChI=1S/C32H36N4O3/c1-7-36-28-11-10-26(22(6)31(28)33-34-36)27(16-29(37)38)24-9-8-23-12-13-35(17-25(23)15-24)32(39)30-20(4)18(2)14-19(3)21(30)5/h8-11,14-15,27H,7,12-13,16-17H2,1-6H3,(H,37,38)/t27-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50539550
(CHEMBL4643134)Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C |r| Show InChI InChI=1S/C32H36N4O3/c1-7-36-28-11-10-26(22(6)31(28)33-34-36)27(16-29(37)38)24-9-8-23-12-13-35(17-25(23)15-24)32(39)30-20(4)18(2)14-19(3)21(30)5/h8-11,14-15,27H,7,12-13,16-17H2,1-6H3,(H,37,38)/t27-/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM50539550
(CHEMBL4643134)Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C |r| Show InChI InChI=1S/C32H36N4O3/c1-7-36-28-11-10-26(22(6)31(28)33-34-36)27(16-29(37)38)24-9-8-23-12-13-35(17-25(23)15-24)32(39)30-20(4)18(2)14-19(3)21(30)5/h8-11,14-15,27H,7,12-13,16-17H2,1-6H3,(H,37,38)/t27-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inhibition of CYP2B6 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50539550
(CHEMBL4643134)Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C |r| Show InChI InChI=1S/C32H36N4O3/c1-7-36-28-11-10-26(22(6)31(28)33-34-36)27(16-29(37)38)24-9-8-23-12-13-35(17-25(23)15-24)32(39)30-20(4)18(2)14-19(3)21(30)5/h8-11,14-15,27H,7,12-13,16-17H2,1-6H3,(H,37,38)/t27-/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50539550
(CHEMBL4643134)Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C |r| Show InChI InChI=1S/C32H36N4O3/c1-7-36-28-11-10-26(22(6)31(28)33-34-36)27(16-29(37)38)24-9-8-23-12-13-35(17-25(23)15-24)32(39)30-20(4)18(2)14-19(3)21(30)5/h8-11,14-15,27H,7,12-13,16-17H2,1-6H3,(H,37,38)/t27-/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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50539556
(CHEMBL4640695)Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(F)cccc1F |r| Show InChI InChI=1S/C28H26F2N4O3/c1-3-34-24-10-9-20(16(2)27(24)31-32-34)21(14-25(35)36)18-8-7-17-11-12-33(15-19(17)13-18)28(37)26-22(29)5-4-6-23(26)30/h4-10,13,21H,3,11-12,14-15H2,1-2H3,(H,35,36)/t21-/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 | 21 | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to Keap1 (unknown origin) by SPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50539550
(CHEMBL4643134)Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C |r| Show InChI InChI=1S/C32H36N4O3/c1-7-36-28-11-10-26(22(6)31(28)33-34-36)27(16-29(37)38)24-9-8-23-12-13-35(17-25(23)15-24)32(39)30-20(4)18(2)14-19(3)21(30)5/h8-11,14-15,27H,7,12-13,16-17H2,1-6H3,(H,37,38)/t27-/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 | 0.700 | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to Keap1 (unknown origin) by SPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50539557
(CHEMBL4637979)Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1ccccc1C |r| Show InChI InChI=1S/C29H30N4O3/c1-4-33-26-12-11-24(19(3)28(26)30-31-33)25(16-27(34)35)21-10-9-20-13-14-32(17-22(20)15-21)29(36)23-8-6-5-7-18(23)2/h5-12,15,25H,4,13-14,16-17H2,1-3H3,(H,34,35)/t25-/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 | 60 | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to Keap1 (unknown origin) by SPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50539558
(CHEMBL4642997)Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C28H26Cl2N4O3/c1-3-34-25-9-7-21(16(2)27(25)31-32-34)22(14-26(35)36)18-5-4-17-10-11-33(15-20(17)12-18)28(37)19-6-8-23(29)24(30)13-19/h4-9,12-13,22H,3,10-11,14-15H2,1-2H3,(H,35,36)/t22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.87E+3 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Induction of Nrf2 nuclear translocation in human U2OS cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50539550
(CHEMBL4643134)Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C |r| Show InChI InChI=1S/C32H36N4O3/c1-7-36-28-11-10-26(22(6)31(28)33-34-36)27(16-29(37)38)24-9-8-23-12-13-35(17-25(23)15-24)32(39)30-20(4)18(2)14-19(3)21(30)5/h8-11,14-15,27H,7,12-13,16-17H2,1-6H3,(H,37,38)/t27-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 9.20 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Activation of Nrf2 in human spinal cord astrocytes assessed as increase in glutathione level after 20 hrs |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50539559
(CHEMBL4637151)Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(C)cccc1C |r| Show InChI InChI=1S/C30H32N4O3/c1-5-34-26-12-11-24(20(4)29(26)31-32-34)25(16-27(35)36)22-10-9-21-13-14-33(17-23(21)15-22)30(37)28-18(2)7-6-8-19(28)3/h6-12,15,25H,5,13-14,16-17H2,1-4H3,(H,35,36)/t25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.61E+4 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Induction of Nrf2 nuclear translocation in human U2OS cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50539550
(CHEMBL4643134)Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C |r| Show InChI InChI=1S/C32H36N4O3/c1-7-36-28-11-10-26(22(6)31(28)33-34-36)27(16-29(37)38)24-9-8-23-12-13-35(17-25(23)15-24)32(39)30-20(4)18(2)14-19(3)21(30)5/h8-11,14-15,27H,7,12-13,16-17H2,1-6H3,(H,37,38)/t27-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 360 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Induction of Nrf2 nuclear translocation in human U2OS cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50539560
(CHEMBL4633455)Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C29H30N4O3/c1-4-33-26-12-11-24(19(3)28(26)30-31-33)25(16-27(34)35)22-10-9-20-13-14-32(17-23(20)15-22)29(36)21-7-5-18(2)6-8-21/h5-12,15,25H,4,13-14,16-17H2,1-3H3,(H,34,35)/t25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.27E+3 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Induction of Nrf2 nuclear translocation in human U2OS cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50539561
(CHEMBL4632468)Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1cccc(C)c1 |r| Show InChI InChI=1S/C29H30N4O3/c1-4-33-26-11-10-24(19(3)28(26)30-31-33)25(16-27(34)35)21-9-8-20-12-13-32(17-23(20)15-21)29(36)22-7-5-6-18(2)14-22/h5-11,14-15,25H,4,12-13,16-17H2,1-3H3,(H,34,35)/t25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.24E+3 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Induction of Nrf2 nuclear translocation in human U2OS cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50539557
(CHEMBL4637979)Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1ccccc1C |r| Show InChI InChI=1S/C29H30N4O3/c1-4-33-26-12-11-24(19(3)28(26)30-31-33)25(16-27(34)35)21-10-9-20-13-14-32(17-22(20)15-21)29(36)23-8-6-5-7-18(23)2/h5-12,15,25H,4,13-14,16-17H2,1-3H3,(H,34,35)/t25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 8.84E+3 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Induction of Nrf2 nuclear translocation in human U2OS cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50539562
(CHEMBL4642419)Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C28H28N4O3/c1-3-32-25-12-11-23(18(2)27(25)29-30-32)24(16-26(33)34)21-10-9-19-13-14-31(17-22(19)15-21)28(35)20-7-5-4-6-8-20/h4-12,15,24H,3,13-14,16-17H2,1-2H3,(H,33,34)/t24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 690 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Induction of Nrf2 nuclear translocation in human U2OS cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50539563
(CHEMBL4645285)Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2[C@@H](C)CN(Cc2c1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C29H30N4O3/c1-4-33-26-13-12-24(19(3)28(26)30-31-33)25(15-27(34)35)21-10-11-23-18(2)16-32(17-22(23)14-21)29(36)20-8-6-5-7-9-20/h5-14,18,25H,4,15-17H2,1-3H3,(H,34,35)/t18-,25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Induction of Nrf2 nuclear translocation in human U2OS cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50539564
(CHEMBL4648662)Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2[C@H](C)CN(Cc2c1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C29H30N4O3/c1-4-33-26-13-12-24(19(3)28(26)30-31-33)25(15-27(34)35)21-10-11-23-18(2)16-32(17-22(23)14-21)29(36)20-8-6-5-7-9-20/h5-14,18,25H,4,15-17H2,1-3H3,(H,34,35)/t18-,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Induction of Nrf2 nuclear translocation in human U2OS cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50539565
(CHEMBL4640114)Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2C[C@@H](C)N(Cc2c1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C29H30N4O3/c1-4-33-26-13-12-24(19(3)28(26)30-31-33)25(16-27(34)35)22-11-10-21-14-18(2)32(17-23(21)15-22)29(36)20-8-6-5-7-9-20/h5-13,15,18,25H,4,14,16-17H2,1-3H3,(H,34,35)/t18-,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Induction of Nrf2 nuclear translocation in human U2OS cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50539566
(CHEMBL4637008)Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2C[C@H](C)N(Cc2c1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C29H30N4O3/c1-4-33-26-13-12-24(19(3)28(26)30-31-33)25(16-27(34)35)22-11-10-21-14-18(2)32(17-23(21)15-22)29(36)20-8-6-5-7-9-20/h5-13,15,18,25H,4,14,16-17H2,1-3H3,(H,34,35)/t18-,25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Induction of Nrf2 nuclear translocation in human U2OS cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50539567
(CHEMBL4648267)Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN([C@@H](C)c2c1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C29H30N4O3/c1-4-33-26-13-12-23(18(2)28(26)30-31-33)25(17-27(34)35)22-11-10-20-14-15-32(19(3)24(20)16-22)29(36)21-8-6-5-7-9-21/h5-13,16,19,25H,4,14-15,17H2,1-3H3,(H,34,35)/t19-,25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Induction of Nrf2 nuclear translocation in human U2OS cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50539568
(CHEMBL4635492)Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN([C@H](C)c2c1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C29H30N4O3/c1-4-33-26-13-12-23(18(2)28(26)30-31-33)25(17-27(34)35)22-11-10-20-14-15-32(19(3)24(20)16-22)29(36)21-8-6-5-7-9-21/h5-13,16,19,25H,4,14-15,17H2,1-3H3,(H,34,35)/t19-,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Induction of Nrf2 nuclear translocation in human U2OS cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50539569
(CHEMBL4635041)Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1cc(C)c2CCN(Cc2c1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C29H30N4O3/c1-4-33-26-11-10-24(19(3)28(26)30-31-33)25(16-27(34)35)21-14-18(2)23-12-13-32(17-22(23)15-21)29(36)20-8-6-5-7-9-20/h5-11,14-15,25H,4,12-13,16-17H2,1-3H3,(H,34,35)/t25-/m0/s1 | PDB
KEGG
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B.MOAD
GoogleScholar
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| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 270 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Induction of Nrf2 nuclear translocation in human U2OS cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50539562
(CHEMBL4642419)Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C28H28N4O3/c1-3-32-25-12-11-23(18(2)27(25)29-30-32)24(16-26(33)34)21-10-9-19-13-14-31(17-22(19)15-21)28(35)20-7-5-4-6-8-20/h4-12,15,24H,3,13-14,16-17H2,1-2H3,(H,33,34)/t24-/m0/s1 | PDB
MMDB
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B.MOAD
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| PC cid
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PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to Keap1 (unknown origin) by SPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50539569
(CHEMBL4635041)Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1cc(C)c2CCN(Cc2c1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C29H30N4O3/c1-4-33-26-11-10-24(19(3)28(26)30-31-33)25(16-27(34)35)21-14-18(2)23-12-13-32(17-22(23)15-21)29(36)20-8-6-5-7-9-20/h5-11,14-15,25H,4,12-13,16-17H2,1-3H3,(H,34,35)/t25-/m0/s1 | 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 | 14 | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to Keap1 (unknown origin) by SPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50539570
(CHEMBL4633745)Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc3ccccc3)Cc2c1 |r| Show InChI InChI=1S/C28H30N4O2/c1-3-32-26-12-11-24(19(2)28(26)29-30-32)25(16-27(33)34)22-10-9-21-13-14-31(18-23(21)15-22)17-20-7-5-4-6-8-20/h4-12,15,25H,3,13-14,16-18H2,1-2H3,(H,33,34)/t25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Induction of Nrf2 nuclear translocation in human U2OS cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50539571
(CHEMBL4635896)Show SMILES Cn1nnc2cc(ccc12)C(CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1ccccc1 Show InChI InChI=1S/C26H24N4O3/c1-29-24-10-9-20(14-23(24)27-28-29)22(15-25(31)32)19-8-7-17-11-12-30(16-21(17)13-19)26(33)18-5-3-2-4-6-18/h2-10,13-14,22H,11-12,15-16H2,1H3,(H,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to Keap1 (unknown origin) by SPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
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
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CHEMBL
PC cid
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UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to Keap1 (unknown origin) by SPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50539571
(CHEMBL4635896)Show SMILES Cn1nnc2cc(ccc12)C(CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1ccccc1 Show InChI InChI=1S/C26H24N4O3/c1-29-24-10-9-20(14-23(24)27-28-29)22(15-25(31)32)19-8-7-17-11-12-30(16-21(17)13-19)26(33)18-5-3-2-4-6-18/h2-10,13-14,22H,11-12,15-16H2,1H3,(H,31,32) | PDB
KEGG
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B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 9.50E+3 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Induction of Nrf2 nuclear translocation in human U2OS cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(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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Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Induction of Nrf2 nuclear translocation in human U2OS cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50539553
(CHEMBL4644995)Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H]([C@H](C)C(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C |r| Show InChI InChI=1S/C33H38N4O3/c1-8-37-28-12-11-27(22(6)31(28)34-35-37)30(23(7)33(39)40)25-10-9-24-13-14-36(17-26(24)16-25)32(38)29-20(4)18(2)15-19(3)21(29)5/h9-12,15-16,23,30H,8,13-14,17H2,1-7H3,(H,39,40)/t23-,30-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 60 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Induction of Nrf2 nuclear translocation in human U2OS cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50539552
(CHEMBL4634531)Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H]([C@@H](C)C(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C |r| Show InChI InChI=1S/C33H38N4O3/c1-8-37-28-12-11-27(22(6)31(28)34-35-37)30(23(7)33(39)40)25-10-9-24-13-14-36(17-26(24)16-25)32(38)29-20(4)18(2)15-19(3)21(29)5/h9-12,15-16,23,30H,8,13-14,17H2,1-7H3,(H,39,40)/t23-,30+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 330 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Induction of Nrf2 nuclear translocation in human U2OS cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50539555
(CHEMBL4645510)Show SMILES CCn1nnc2c(C)c(ccc12)[C@H](c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C)C(C)(C)C(O)=O |r| Show InChI InChI=1S/C34H40N4O3/c1-9-38-28-13-12-27(23(6)31(28)35-36-38)30(34(7,8)33(40)41)25-11-10-24-14-15-37(18-26(24)17-25)32(39)29-21(4)19(2)16-20(3)22(29)5/h10-13,16-17,30H,9,14-15,18H2,1-8H3,(H,40,41)/t30-/m0/s1 | PDB
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Induction of Nrf2 nuclear translocation in human U2OS cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50539551
(CHEMBL4633657)Show SMILES CC[C@@H]([C@@H](c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C)c1ccc2n(CC)nnc2c1C)C(O)=O |r| Show InChI InChI=1S/C34H40N4O3/c1-8-27(34(40)41)31(28-12-13-29-32(23(28)7)35-36-38(29)9-2)25-11-10-24-14-15-37(18-26(24)17-25)33(39)30-21(5)19(3)16-20(4)22(30)6/h10-13,16-17,27,31H,8-9,14-15,18H2,1-7H3,(H,40,41)/t27-,31+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.29E+3 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Induction of Nrf2 nuclear translocation in human U2OS cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50539554
(CHEMBL4638963)Show SMILES CC[C@H]([C@@H](c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C)c1ccc2n(CC)nnc2c1C)C(O)=O |r| Show InChI InChI=1S/C34H40N4O3/c1-8-27(34(40)41)31(28-12-13-29-32(23(28)7)35-36-38(29)9-2)25-11-10-24-14-15-37(18-26(24)17-25)33(39)30-21(5)19(3)16-20(4)22(30)6/h10-13,16-17,27,31H,8-9,14-15,18H2,1-7H3,(H,40,41)/t27-,31-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.82E+3 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Induction of Nrf2 nuclear translocation in human U2OS cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50539553
(CHEMBL4644995)Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H]([C@H](C)C(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C |r| Show InChI InChI=1S/C33H38N4O3/c1-8-37-28-12-11-27(22(6)31(28)34-35-37)30(23(7)33(39)40)25-10-9-24-13-14-36(17-26(24)16-25)32(38)29-20(4)18(2)15-19(3)21(29)5/h9-12,15-16,23,30H,8,13-14,17H2,1-7H3,(H,39,40)/t23-,30-/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 | 0.0700 | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to Keap1 (unknown origin) by SPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50539552
(CHEMBL4634531)Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H]([C@@H](C)C(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C |r| Show InChI InChI=1S/C33H38N4O3/c1-8-37-28-12-11-27(22(6)31(28)34-35-37)30(23(7)33(39)40)25-10-9-24-13-14-36(17-26(24)16-25)32(38)29-20(4)18(2)15-19(3)21(29)5/h9-12,15-16,23,30H,8,13-14,17H2,1-7H3,(H,39,40)/t23-,30+/m1/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 | 1.90 | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to Keap1 (unknown origin) by SPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50539551
(CHEMBL4633657)Show SMILES CC[C@@H]([C@@H](c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C)c1ccc2n(CC)nnc2c1C)C(O)=O |r| Show InChI InChI=1S/C34H40N4O3/c1-8-27(34(40)41)31(28-12-13-29-32(23(28)7)35-36-38(29)9-2)25-11-10-24-14-15-37(18-26(24)17-25)33(39)30-21(5)19(3)16-20(4)22(30)6/h10-13,16-17,27,31H,8-9,14-15,18H2,1-7H3,(H,40,41)/t27-,31+/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 | 0.880 | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Binding affinity to Keap1 (unknown origin) by SPR assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50539556
(CHEMBL4640695)Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(F)cccc1F |r| Show InChI InChI=1S/C28H26F2N4O3/c1-3-34-24-10-9-20(16(2)27(24)31-32-34)21(14-25(35)36)18-8-7-17-11-12-33(15-19(17)13-18)28(37)26-22(29)5-4-6-23(26)30/h4-10,13,21H,3,11-12,14-15H2,1-2H3,(H,35,36)/t21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.39E+3 | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Induction of Nrf2 nuclear translocation in human U2OS cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ |
More data for this
Ligand-Target Pair | |
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