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SMILES: CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C\c2ccc(F)cc2)ncc1Cl

InChI Key: InChIKey=STKCTXOVMCUJSB-BHGWPJFGSA-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 4 hits for monomerid = 50204615   
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))
BDBM50204615
PNG
(CHEMBL3921664)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C\c2ccc(F)cc2)ncc1Cl
Show InChI InChI=1S/C20H19ClFN5O2S/c1-13(2)30(28,29)18-6-4-3-5-17(18)25-19-16(21)12-23-20(26-19)27-24-11-14-7-9-15(22)10-8-14/h3-13H,1-2H3,(H2,23,25,26,27)/b24-11+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 570n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50204615
PNG
(CHEMBL3921664)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C\c2ccc(F)cc2)ncc1Cl
Show InChI InChI=1S/C20H19ClFN5O2S/c1-13(2)30(28,29)18-6-4-3-5-17(18)25-19-16(21)12-23-20(26-19)27-24-11-14-7-9-15(22)10-8-14/h3-13H,1-2H3,(H2,23,25,26,27)/b24-11+
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50204615
PNG
(CHEMBL3921664)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C\c2ccc(F)cc2)ncc1Cl
Show InChI InChI=1S/C20H19ClFN5O2S/c1-13(2)30(28,29)18-6-4-3-5-17(18)25-19-16(21)12-23-20(26-19)27-24-11-14-7-9-15(22)10-8-14/h3-13H,1-2H3,(H2,23,25,26,27)/b24-11+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50204615
PNG
(CHEMBL3921664)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C\c2ccc(F)cc2)ncc1Cl
Show InChI InChI=1S/C20H19ClFN5O2S/c1-13(2)30(28,29)18-6-4-3-5-17(18)25-19-16(21)12-23-20(26-19)27-24-11-14-7-9-15(22)10-8-14/h3-13H,1-2H3,(H2,23,25,26,27)/b24-11+
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair