Found 5 hits for monomerid = 50120421 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 |
KEAP1/Cullin-3/Microtubule-associated protein tau
(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 MMDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Inhibition of Cys5-LDEETGEFL-NH2 binding to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) measu... |
J Med Chem 62: 8028-8052 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00723 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
KEAP1/Cullin-3/Microtubule-associated protein tau
(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 MMDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1.18E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description Displacement of MR121-Nrf2 from human N-terminal His-tagged Kelch-DC domain of Keap1 (321 to 609) expressed in Escherichia coli BL21 (DE3) after 40 m... |
Bioorg Med Chem 21: 4011-9 (2013)
Article DOI: 10.1016/j.bmc.2013.04.019 BindingDB Entry DOI: 10.7270/Q2MC92ZS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
KEAP1/Cullin-3/Microtubule-associated protein tau
(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 MMDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article 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 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nuclear factor erythroid 2-related factor 2
(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
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 1.18E+5 | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of Keap1 (unknown origin) interaction to Nrf2 |
J Med Chem 58: 7186-94 (2015)
BindingDB Entry DOI: 10.7270/Q2FN181B |
More data for this Ligand-Target Pair | |
KEAP1/Cullin-3/Microtubule-associated protein tau
(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 MMDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 1.10E+5 | 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 thermal stabiliza... |
J Med Chem 62: 8028-8052 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00723 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |