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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kelch-like ECH-associated protein 1' and Ligand = 'BDBM50584858'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Kelch-like ECH-associated protein 1


(Homo sapiens (Human))
BDBM50584858
PNG
(CHEMBL5070545)
Show SMILES CN(C)C(=O)[C@H]1CSCc2c(cccc2C(=O)OC[C@@H](NC(=O)[C@@H]2CCCN2C(C)=O)C(=O)N1)-c1ccc(C(O)=O)c(C)c1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 49n/an/an/an/an/a


TBA

Assay Description
Binding affinity to Keap1 (unknown origin) at R415 assessed as dissociation constant by surface plasmon resonance based direct binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01975
BindingDB Entry DOI: 10.7270/Q2FJ2MQS
More data for this
Ligand-Target Pair
Kelch-like ECH-associated protein 1


(Homo sapiens (Human))
BDBM50584858
PNG
(CHEMBL5070545)
Show SMILES CN(C)C(=O)[C@H]1CSCc2c(cccc2C(=O)OC[C@@H](NC(=O)[C@@H]2CCCN2C(C)=O)C(=O)N1)-c1ccc(C(O)=O)c(C)c1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 43n/an/an/an/an/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