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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM376911'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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))		BDBM376911
PNG
(US10329300, Example 5 | US9920060, 5)
Show SMILES CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c2ccccc12
Show InChI InChI=1S/C28H30N8O3/c1-4-22(37)35-13-7-8-18(15-35)36-27-24(26(29)30-16-31-27)25(33-36)28(39)32-21-12-11-17(14-23(38)34(2)3)19-9-5-6-10-20(19)21/h4-6,9-12,16,18H,1,7-8,13-15H2,2-3H3,(H,32,39)(H2,29,30,31)/t18-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/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))		BDBM376911
PNG
(US10329300, Example 5 | US9920060, 5)
Show SMILES CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c2ccccc12
Show InChI InChI=1S/C28H30N8O3/c1-4-22(37)35-13-7-8-18(15-35)36-27-24(26(29)30-16-31-27)25(33-36)28(39)32-21-12-11-17(14-23(38)34(2)3)19-9-5-6-10-20(19)21/h4-6,9-12,16,18H,1,7-8,13-15H2,2-3H3,(H,32,39)(H2,29,30,31)/t18-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/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