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SMILES: COc1cccc2nn[nH]c12

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50575916   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50575916
PNG
(CHEMBL4879253)
Show SMILES COc1cccc2nn[nH]c12
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.10E+6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of interaction between human KEAP1 Kelch domain/FAM-Nrf2 using Cy5-Nrf2 incubated for 10 to 15 mins by competitive fluorescence polarizati...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02094
BindingDB Entry DOI: 10.7270/Q24J0JX3
More data for this
Ligand-Target Pair
Kelch-like ECH-associated protein 1


(Homo sapiens (Human))
BDBM50575916
PNG
(CHEMBL4879253)
Show SMILES COc1cccc2nn[nH]c12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.40E+6n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human recombinant His-tagged Keap1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissoc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02094
BindingDB Entry DOI: 10.7270/Q24J0JX3
More data for this
Ligand-Target Pair