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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 = 'BDBM50152364'   
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))
BDBM50152364
PNG
(4-[6-Methoxy-7-(2-piperidin-1-yl-ethoxy)-quinazoli...)
Show SMILES COc1cc2c(ncnc2cc1OCCN1CCCCC1)N1CCN(CC1)C(=S)NCc1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C33H39N7O2S/c1-41-30-21-27-29(22-31(30)42-20-19-38-13-5-2-6-14-38)36-24-37-32(27)39-15-17-40(18-16-39)33(43)35-23-25-8-10-26(11-9-25)28-7-3-4-12-34-28/h3-4,7-12,21-22,24H,2,5-6,13-20,23H2,1H3,(H,35,43)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.49E+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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50152364
PNG
(4-[6-Methoxy-7-(2-piperidin-1-yl-ethoxy)-quinazoli...)
Show SMILES COc1cc2c(ncnc2cc1OCCN1CCCCC1)N1CCN(CC1)C(=S)NCc1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C33H39N7O2S/c1-41-30-21-27-29(22-31(30)42-20-19-38-13-5-2-6-14-38)36-24-37-32(27)39-15-17-40(18-16-39)33(43)35-23-25-8-10-26(11-9-25)28-7-3-4-12-34-28/h3-4,7-12,21-22,24H,2,5-6,13-20,23H2,1H3,(H,35,43)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.13E+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