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SMILES: Clc1cccc(c1)C1CC(=NN1c1ccccc1)c1ccc2OCCOc2c1

InChI Key: InChIKey=LYQWMJNCMLZNBS-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50172060   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50172060
PNG
(CHEMBL3805409)
Show SMILES Clc1cccc(c1)C1CC(=NN1c1ccccc1)c1ccc2OCCOc2c1 |c:10|
Show InChI InChI=1S/C23H19ClN2O2/c24-18-6-4-5-17(13-18)21-15-20(25-26(21)19-7-2-1-3-8-19)16-9-10-22-23(14-16)28-12-11-27-22/h1-10,13-14,21H,11-12,15H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 8.12E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged EGFR (unknown origin) cytoplasmic domain (645 to 1186 residues) autophosphorylation expressed in baculovirus in...


Bioorg Med Chem 24: 3052-3061 (2016)


BindingDB Entry DOI: 10.7270/Q2HX1FKZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Mus musculus)
BDBM50172060
PNG
(CHEMBL3805409)
Show SMILES Clc1cccc(c1)C1CC(=NN1c1ccccc1)c1ccc2OCCOc2c1 |c:10|
Show InChI InChI=1S/C23H19ClN2O2/c24-18-6-4-5-17(13-18)21-15-20(25-26(21)19-7-2-1-3-8-19)16-9-10-22-23(14-16)28-12-11-27-22/h1-10,13-14,21H,11-12,15H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.83E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of mouse wild type BRAF assessed as reduction in human full length N-terminal His-tagged MEK1 phosphorylation pre-incubated for 1 hr befor...


Bioorg Med Chem 24: 3052-3061 (2016)


BindingDB Entry DOI: 10.7270/Q2HX1FKZ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Mus musculus)
BDBM50172060
PNG
(CHEMBL3805409)
Show SMILES Clc1cccc(c1)C1CC(=NN1c1ccccc1)c1ccc2OCCOc2c1 |c:10|
Show InChI InChI=1S/C23H19ClN2O2/c24-18-6-4-5-17(13-18)21-15-20(25-26(21)19-7-2-1-3-8-19)16-9-10-22-23(14-16)28-12-11-27-22/h1-10,13-14,21H,11-12,15H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.46E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of mouse c-Raf assessed as reduction in human full length N-terminal His-tagged MEK1 phosphorylation pre-incubated for 1 hr before MEK1 ad...


Bioorg Med Chem 24: 3052-3061 (2016)


BindingDB Entry DOI: 10.7270/Q2HX1FKZ
More data for this
Ligand-Target Pair