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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 = 'BDBM50272847'   
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))
BDBM50272847
PNG
(CHEMBL498134 | N4-(1-(3-fluorobenzyl)-1H-indazol-5...)
Show SMILES CN1CCN(CC1)\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C24H26FN9/c1-32-7-9-33(10-8-32)29-14-21-23(26)27-16-28-24(21)31-20-5-6-22-18(12-20)13-30-34(22)15-17-3-2-4-19(25)11-17/h2-6,11-14,16H,7-10,15H2,1H3,(H3,26,27,28,31)/b29-14+
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ErbB2


Bioorg Med Chem Lett 18: 4615-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.020
BindingDB Entry DOI: 10.7270/Q2XD11HN
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50272847
PNG
(CHEMBL498134 | N4-(1-(3-fluorobenzyl)-1H-indazol-5...)
Show SMILES CN1CCN(CC1)\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C24H26FN9/c1-32-7-9-33(10-8-32)29-14-21-23(26)27-16-28-24(21)31-20-5-6-22-18(12-20)13-30-34(22)15-17-3-2-4-19(25)11-17/h2-6,11-14,16H,7-10,15H2,1H3,(H3,26,27,28,31)/b29-14+
PDB
MMDB

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 509n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ErB2 phosphorylation in human SKBR3 cells


Bioorg Med Chem Lett 18: 4615-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.020
BindingDB Entry DOI: 10.7270/Q2XD11HN
More data for this
Ligand-Target Pair