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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Kelch-like ECH-associated protein 1' and Ligand = 'BDBM50547100'   
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))
BDBM50547100
PNG
(CHEMBL4739983)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=O)CN(c1cccc2N(CCc12)C(C(=O)NS(=O)(=O)c1ccc(C)cc1OC)c1cccc(OC)c1)S(=O)(=O)c1ccc(OC)cc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FITC-9mer Nrf2 peptide interaction with human recombinant Keap1 Kelch domain (321 to 609 residues) expressed in Escherichia coli DE3 ce...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01116
BindingDB Entry DOI: 10.7270/Q2VD7329
More data for this
Ligand-Target Pair
Kelch-like ECH-associated protein 1


(Homo sapiens (Human))
BDBM50547100
PNG
(CHEMBL4739983)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=O)CN(c1cccc2N(CCc12)C(C(=O)NS(=O)(=O)c1ccc(C)cc1OC)c1cccc(OC)c1)S(=O)(=O)c1ccc(OC)cc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 22n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00830
BindingDB Entry DOI: 10.7270/Q2NV9PCR
More data for this
Ligand-Target Pair
Kelch-like ECH-associated protein 1


(Homo sapiens (Human))
BDBM50547100
PNG
(CHEMBL4739983)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=O)CN(c1cccc2N(CCc12)C(C(=O)NS(=O)(=O)c1ccc(C)cc1OC)c1cccc(OC)c1)S(=O)(=O)c1ccc(OC)cc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 26n/an/an/an/an/a


TBA

Assay Description
Binding affinity to biotinylated human recombinant Keap1 Kelch domain (321 to 609 residues) expressed in Escherichia coli DE3 by biolayer interferome...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01116
BindingDB Entry DOI: 10.7270/Q2VD7329
More data for this
Ligand-Target Pair
Kelch-like ECH-associated protein 1


(Homo sapiens (Human))
BDBM50547100
PNG
(CHEMBL4739983)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=O)CN(c1cccc2N(CCc12)C(C(=O)NS(=O)(=O)c1ccc(C)cc1OC)c1cccc(OC)c1)S(=O)(=O)c1ccc(OC)cc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 58n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human recombinant Keap1 Kelch domain (321 to 609 residues) expressed in Escherichia coli DE3 assessed as dissociation constant by...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01116
BindingDB Entry DOI: 10.7270/Q2VD7329
More data for this
Ligand-Target Pair