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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Platelet-derived growth factor receptor beta' and Ligand = 'BDBM50152346'   
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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50152346
PNG
(4-[6-Methoxy-7-(2-piperidin-1-yl-ethoxy)-quinazoli...)
Show SMILES COc1cc2c(ncnc2cc1OCCN1CCCCC1)N1CCN(CC1)C(=S)Nc1nccs1
Show InChI InChI=1S/C24H31N7O2S2/c1-32-20-15-18-19(16-21(20)33-13-12-29-6-3-2-4-7-29)26-17-27-22(18)30-8-10-31(11-9-30)24(34)28-23-25-5-14-35-23/h5,14-17H,2-4,6-13H2,1H3,(H,25,28,34)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



and In Vivo Sciences Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Platelet derived growth factor receptor beta autophosphorylation in MG-63 cells without plasma


Bioorg Med Chem Lett 14: 4867-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.041
BindingDB Entry DOI: 10.7270/Q2VM4BQN
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50152346
PNG
(4-[6-Methoxy-7-(2-piperidin-1-yl-ethoxy)-quinazoli...)
Show SMILES COc1cc2c(ncnc2cc1OCCN1CCCCC1)N1CCN(CC1)C(=S)Nc1nccs1
Show InChI InChI=1S/C24H31N7O2S2/c1-32-20-15-18-19(16-21(20)33-13-12-29-6-3-2-4-7-29)26-17-27-22(18)30-8-10-31(11-9-30)24(34)28-23-25-5-14-35-23/h5,14-17H,2-4,6-13H2,1H3,(H,25,28,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.04E+3n/an/an/an/an/an/a



and In Vivo Sciences Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Platelet derived growth factor receptor beta autophosphorylation in MG-63 cells with 45% human plasma


Bioorg Med Chem Lett 14: 4867-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.041
BindingDB Entry DOI: 10.7270/Q2VM4BQN
More data for this
Ligand-Target Pair