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SMILES: CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(OCF)c1

InChI Key: InChIKey=UJQPVWJWCLKPHF-MRXNPFEDSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 376922   
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))
BDBM376922
PNG
(US10329300, Example 16 | US9920060, 16)
Show SMILES CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(OCF)c1
Show InChI InChI=1S/C25H29FN8O4/c1-4-19(35)33-9-5-6-16(12-33)34-24-21(23(27)28-14-29-24)22(31-34)25(37)30-17-8-7-15(10-18(17)38-13-26)11-20(36)32(2)3/h4,7-8,10,14,16H,1,5-6,9,11-13H2,2-3H3,(H,30,37)(H2,27,28,29)/t16-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/an/an/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
For setting the conditions for the method for measuring the in vitro inhibitory activity of a compound against HER2-phosphorylating activity, Profile...


US Patent US10329300 (2019)


BindingDB Entry DOI: 10.7270/Q2MG7RWF
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM376922
PNG
(US10329300, Example 16 | US9920060, 16)
Show SMILES CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(OCF)c1
Show InChI InChI=1S/C25H29FN8O4/c1-4-19(35)33-9-5-6-16(12-33)34-24-21(23(27)28-14-29-24)22(31-34)25(37)30-17-8-7-15(10-18(17)38-13-26)11-20(36)32(2)3/h4,7-8,10,14,16H,1,5-6,9,11-13H2,2-3H3,(H,30,37)(H2,27,28,29)/t16-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/an/an/a



Universite Paris 7-Denis Diderot



Assay Description
For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...


Bioorg Med Chem 16: 1242-53 (2008)


BindingDB Entry DOI: 10.7270/Q2BR8VHD
More data for this
Ligand-Target Pair