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BDBM50204145 (S)-5-((morpholin-2-ylmethoxy)methyl)-N-(1-(pyridin-2-ylmethyl)-1H-indazol-5-yl)pyrrolo[1,2-f][1,2,4]triazin-4-amine::CHEMBL396079

SMILES: C(OCc1ccn2ncnc(Nc3ccc4n(Cc5ccccn5)ncc4c3)c12)[C@@H]1CNCCO1

InChI Key: InChIKey=GZOONDSECSSONX-QFIPXVFZSA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 50204145   
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))
BDBM50204145
PNG
((S)-5-((morpholin-2-ylmethoxy)methyl)-N-(1-(pyridi...)
Show SMILES C(OCc1ccn2ncnc(Nc3ccc4n(Cc5ccccn5)ncc4c3)c12)[C@@H]1CNCCO1
Show InChI InChI=1S/C25H26N8O2/c1-2-7-27-21(3-1)14-33-23-5-4-20(11-19(23)12-29-33)31-25-24-18(6-9-32(24)30-17-28-25)15-34-16-22-13-26-8-10-35-22/h1-7,9,11-12,17,22,26H,8,10,13-16H2,(H,28,30,31)/t22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 17: 2036-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.002
BindingDB Entry DOI: 10.7270/Q2GT5MVS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50204145
PNG
((S)-5-((morpholin-2-ylmethoxy)methyl)-N-(1-(pyridi...)
Show SMILES C(OCc1ccn2ncnc(Nc3ccc4n(Cc5ccccn5)ncc4c3)c12)[C@@H]1CNCCO1
Show InChI InChI=1S/C25H26N8O2/c1-2-7-27-21(3-1)14-33-23-5-4-20(11-19(23)12-29-33)31-25-24-18(6-9-32(24)30-17-28-25)15-34-16-22-13-26-8-10-35-22/h1-7,9,11-12,17,22,26H,8,10,13-16H2,(H,28,30,31)/t22-/m0/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 380n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells


Bioorg Med Chem Lett 17: 2036-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.002
BindingDB Entry DOI: 10.7270/Q2GT5MVS
More data for this
Ligand-Target Pair