BDBM50283797 CHEMBL4169002
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
InChI Key: InChIKey=ZDUXQRUQCLUZNW-NRPBRGEBSA-N
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)) | BDBM50283797 (CHEMBL4169002) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of FITC-labeled Nrf2 binding to human Keap1 Kelch domain (322 to 609 residues) expressed in Escherichia coli (DE3) after 30 mins by fluore... | Eur J Med Chem 143: 1578-1589 (2018) Article DOI: 10.1016/j.ejmech.2017.10.052 BindingDB Entry DOI: 10.7270/Q2PK0JNT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kelch-like ECH-associated protein 1 (Homo sapiens (Human)) | BDBM50283797 (CHEMBL4169002) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Binding affinity to human biotin-labeled Keap1 Kelch domain (322 to 609 residues) expressed in Escherichia coli (DE3) by biolayer interferometry | Eur J Med Chem 143: 1578-1589 (2018) Article DOI: 10.1016/j.ejmech.2017.10.052 BindingDB Entry DOI: 10.7270/Q2PK0JNT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kelch-like ECH-associated protein 1 (Homo sapiens (Human)) | BDBM50283797 (CHEMBL4169002) | 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 |