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BDBM50205268 ARRY-334543::ARRY-543::ASLAN-001::VARLITINIB::Varlitinib

SMILES: C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1

InChI Key: InChIKey=UWXSAYUXVSFDBQ-CYBMUJFWSA-N

Data: 5 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50205268   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50205268
PNG
(ARRY-334543 | ARRY-543 | ASLAN-001 | VARLITINIB | ...)
Show SMILES C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1
Show InChI InChI=1S/C22H19ClN6O2S/c1-13-10-31-22(27-13)29-14-2-4-18-16(8-14)21(26-12-25-18)28-15-3-5-19(17(23)9-15)30-11-20-24-6-7-32-20/h2-9,12-13H,10-11H2,1H3,(H,27,29)(H,25,26,28)/t13-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Tsinghua University

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin)


Bioorg Med Chem 25: 27-37 (2017)


Article DOI: 10.1016/j.bmc.2016.10.006
BindingDB Entry DOI: 10.7270/Q22N548X
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50205268
PNG
(ARRY-334543 | ARRY-543 | ASLAN-001 | VARLITINIB | ...)
Show SMILES C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1
Show InChI InChI=1S/C22H19ClN6O2S/c1-13-10-31-22(27-13)29-14-2-4-18-16(8-14)21(26-12-25-18)28-15-3-5-19(17(23)9-15)30-11-20-24-6-7-32-20/h2-9,12-13H,10-11H2,1H3,(H,27,29)(H,25,26,28)/t13-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Tsinghua University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)


Bioorg Med Chem 25: 27-37 (2017)


Article DOI: 10.1016/j.bmc.2016.10.006
BindingDB Entry DOI: 10.7270/Q22N548X
More data for this
Ligand-Target Pair
Receptor protein-tyrosine kinase erbB-4


(Homo sapiens (Human))
BDBM50205268
PNG
(ARRY-334543 | ARRY-543 | ASLAN-001 | VARLITINIB | ...)
Show SMILES C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1
Show InChI InChI=1S/C22H19ClN6O2S/c1-13-10-31-22(27-13)29-14-2-4-18-16(8-14)21(26-12-25-18)28-15-3-5-19(17(23)9-15)30-11-20-24-6-7-32-20/h2-9,12-13H,10-11H2,1H3,(H,27,29)(H,25,26,28)/t13-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Arromax Pharmatech Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HER4 (unknown origin)


Eur J Med Chem 170: 55-72 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.004
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50205268
PNG
(ARRY-334543 | ARRY-543 | ASLAN-001 | VARLITINIB | ...)
Show SMILES C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1
Show InChI InChI=1S/C22H19ClN6O2S/c1-13-10-31-22(27-13)29-14-2-4-18-16(8-14)21(26-12-25-18)28-15-3-5-19(17(23)9-15)30-11-20-24-6-7-32-20/h2-9,12-13H,10-11H2,1H3,(H,27,29)(H,25,26,28)/t13-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Arromax Pharmatech Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged HER2 (catalytic domain 691 to 1255 residues) using polyglutamic acid/tyrosine as substrate by spectrophoto...


Eur J Med Chem 170: 55-72 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.004
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50205268
PNG
(ARRY-334543 | ARRY-543 | ASLAN-001 | VARLITINIB | ...)
Show SMILES C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1
Show InChI InChI=1S/C22H19ClN6O2S/c1-13-10-31-22(27-13)29-14-2-4-18-16(8-14)21(26-12-25-18)28-15-3-5-19(17(23)9-15)30-11-20-24-6-7-32-20/h2-9,12-13H,10-11H2,1H3,(H,27,29)(H,25,26,28)/t13-/m1/s1
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PubMed
n/an/a 7n/an/an/an/an/an/a



Arromax Pharmatech Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length EGFR using polyglutamic acid/tyrosine as substrate by spectrophotometry


Eur J Med Chem 170: 55-72 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.004
More data for this
Ligand-Target Pair