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BDBM112503 US8623883, No. 9

SMILES: COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCC(F)CC1

InChI Key: InChIKey=YMQSEEOAYCTNQU-NSCUHMNNSA-N

Data: 3 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 112503   
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))
BDBM112503
PNG
(US8623883, No. 9)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCC(F)CC1
Show InChI InChI=1S/C24H24ClF2N5O2/c1-34-22-13-20-17(24(29-14-28-20)30-16-4-5-19(27)18(25)11-16)12-21(22)31-23(33)3-2-8-32-9-6-15(26)7-10-32/h2-5,11-15H,6-10H2,1H3,(H,31,33)(H,28,29,30)/b3-2+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 18.1n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...


US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM112503
PNG
(US8623883, No. 9)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCC(F)CC1
Show InChI InChI=1S/C24H24ClF2N5O2/c1-34-22-13-20-17(24(29-14-28-20)30-16-4-5-19(27)18(25)11-16)12-21(22)31-23(33)3-2-8-32-9-6-15(26)7-10-32/h2-5,11-15H,6-10H2,1H3,(H,31,33)(H,28,29,30)/b3-2+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 147n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...


US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM112503
PNG
(US8623883, No. 9)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCC(F)CC1
Show InChI InChI=1S/C24H24ClF2N5O2/c1-34-22-13-20-17(24(29-14-28-20)30-16-4-5-19(27)18(25)11-16)12-21(22)31-23(33)3-2-8-32-9-6-15(26)7-10-32/h2-5,11-15H,6-10H2,1H3,(H,31,33)(H,28,29,30)/b3-2+
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

US Patent
n/an/a 247n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...


US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair