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SMILES: CN(C(=O)Oc1ccc(NC(=O)c2nn(N3CN(CC=C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1)c1ccccc1

InChI Key: InChIKey=UHTLWSJRYBKFIF-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 376980   
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))
BDBM376980
PNG
((R)-4-(1-(1-acryloylpyrimidin-3-yl)-4-amino-1H-pyr...)
Show SMILES CN(C(=O)Oc1ccc(NC(=O)c2nn(N3CN(CC=C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1)c1ccccc1 |c:19|
Show InChI InChI=1S/C28H27N9O4/c1-4-22(38)35-13-8-14-36(17-35)37-26-23(25(29)30-16-31-26)24(33-37)27(39)32-21-12-11-20(15-18(21)2)41-28(40)34(3)19-9-6-5-7-10-19/h4-12,14-16H,1,13,17H2,2-3H3,(H,32,39)(H2,29,30,31)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.70n/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))
BDBM376980
PNG
((R)-4-(1-(1-acryloylpyrimidin-3-yl)-4-amino-1H-pyr...)
Show SMILES CN(C(=O)Oc1ccc(NC(=O)c2nn(N3CN(CC=C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1)c1ccccc1 |c:19|
Show InChI InChI=1S/C28H27N9O4/c1-4-22(38)35-13-8-14-36(17-35)37-26-23(25(29)30-16-31-26)24(33-37)27(39)32-21-12-11-20(15-18(21)2)41-28(40)34(3)19-9-6-5-7-10-19/h4-12,14-16H,1,13,17H2,2-3H3,(H,32,39)(H2,29,30,31)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.70n/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