null
SMILES: CN(C)C(=O)[C@H]1CSCc2c(cccc2C(=O)OC[C@@H](NC(=O)[C@@H]2CCCN2C(C)=O)C(=O)N1)-c1ccc(cc1)C(O)=O
InChI Key:
PDB links: 1 PDB ID matches this monomer.
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)) | BDBM50584822 (CHEMBL5092602) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Binding affinity to Keap1 (unknown origin) at R415 assessed as dissociation constant by isothermal titration calorimetry | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01975 BindingDB Entry DOI: 10.7270/Q2FJ2MQS | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Kelch-like ECH-associated protein 1 (Homo sapiens (Human)) | BDBM50584822 (CHEMBL5092602) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Binding affinity to Keap1 (unknown origin) at R415 assessed as dissociation constant by surface plasmon resonance based inhibition-in-solution assay | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01975 BindingDB Entry DOI: 10.7270/Q2FJ2MQS | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |