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SMILES: Cc1nn(-c2ccccc2)c2nc(CC(=O)N3NC(=O)\C(=C/c4ccccc4)N=C3c3ccccc3)[nH]c(=O)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 = 50563092   
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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50563092
PNG
(CHEMBL4790553)
Show SMILES Cc1nn(-c2ccccc2)c2nc(CC(=O)N3NC(=O)\C(=C/c4ccccc4)N=C3c3ccccc3)[nH]c(=O)c12 |c:30|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 872n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HER2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113222
BindingDB Entry DOI: 10.7270/Q2KK9GKK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50563092
PNG
(CHEMBL4790553)
Show SMILES Cc1nn(-c2ccccc2)c2nc(CC(=O)N3NC(=O)\C(=C/c4ccccc4)N=C3c3ccccc3)[nH]c(=O)c12 |c:30|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 656n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EGFR T790M mutant (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113222
BindingDB Entry DOI: 10.7270/Q2KK9GKK
More data for this
Ligand-Target Pair