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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 = 'BDBM13907'   
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))
BDBM13907
PNG
(CHEMBL196738 | ethyl 4-[(1-benzyl-1H-indazol-5-yl)...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1C
Show InChI InChI=1S/C24H22N6O2/c1-3-32-24(31)20-14-30-22(16(20)2)23(25-15-27-30)28-19-9-10-21-18(11-19)12-26-29(21)13-17-7-5-4-6-8-17/h4-12,14-15H,3,13H2,1-2H3,(H,25,27,28)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against HER2 cytoplasmic sequence expressed in Sf9 cells


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM13907
PNG
(CHEMBL196738 | ethyl 4-[(1-benzyl-1H-indazol-5-yl)...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1C
Show InChI InChI=1S/C24H22N6O2/c1-3-32-24(31)20-14-30-22(16(20)2)23(25-15-27-30)28-19-9-10-21-18(11-19)12-26-29(21)13-17-7-5-4-6-8-17/h4-12,14-15H,3,13H2,1-2H3,(H,25,27,28)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The kinase activity was determined by using recombinant enzyme incubating with its substrate in the presence of test compound and ATP/[gamma-33P] ATP...


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair