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BDBM50161920 CHEMBL367792::N-[4-(4-Benzyloxy-3-chloro-phenylamino)-3-cyano-7-ethoxy-quinolin-6-yl]-3-quinolin-8-yl-acrylamide

SMILES: CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\c1cccc2cccnc12

InChI Key: InChIKey=VJBGCGWDTBHXQK-DTQAZKPQSA-N

Data: 2 IC50

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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 2 hits for monomerid = 50161920   
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))
BDBM50161920
PNG
(CHEMBL367792 | N-[4-(4-Benzyloxy-3-chloro-phenylam...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\c1cccc2cccnc12
Show InChI InChI=1S/C37H28ClN5O3/c1-2-45-34-20-31-29(19-32(34)43-35(44)16-13-26-11-6-10-25-12-7-17-40-36(25)26)37(27(21-39)22-41-31)42-28-14-15-33(30(38)18-28)46-23-24-8-4-3-5-9-24/h3-20,22H,2,23H2,1H3,(H,41,42)(H,43,44)/b16-13+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.13E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation


J Med Chem 48: 1107-31 (2005)


Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50161920
PNG
(CHEMBL367792 | N-[4-(4-Benzyloxy-3-chloro-phenylam...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\c1cccc2cccnc12
Show InChI InChI=1S/C37H28ClN5O3/c1-2-45-34-20-31-29(19-32(34)43-35(44)16-13-26-11-6-10-25-12-7-17-40-36(25)26)37(27(21-39)22-41-31)42-28-14-15-33(30(38)18-28)46-23-24-8-4-3-5-9-24/h3-20,22H,2,23H2,1H3,(H,41,42)(H,43,44)/b16-13+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 990n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation


J Med Chem 48: 1107-31 (2005)


Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG
More data for this
Ligand-Target Pair