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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Platelet-derived growth factor receptor beta' and Ligand = 'BDBM50152355'   
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))
BDBM50152355
PNG
(4-[3-Cyano-6-methoxy-7-(3-piperidin-1-yl-propoxy)-...)
Show SMILES COc1cc2c(N3CCN(CC3)C(=S)NCc3ccc(nc3)C(F)(F)F)c(cnc2cc1OCCCN1CCCCC1)C#N
Show InChI InChI=1S/C31H36F3N7O2S/c1-42-26-16-24-25(17-27(26)43-15-5-10-39-8-3-2-4-9-39)36-21-23(18-35)29(24)40-11-13-41(14-12-40)30(44)38-20-22-6-7-28(37-19-22)31(32,33)34/h6-7,16-17,19,21H,2-5,8-15,20H2,1H3,(H,38,44)
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Article
PubMed
n/an/a 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))
BDBM50152355
PNG
(4-[3-Cyano-6-methoxy-7-(3-piperidin-1-yl-propoxy)-...)
Show SMILES COc1cc2c(N3CCN(CC3)C(=S)NCc3ccc(nc3)C(F)(F)F)c(cnc2cc1OCCCN1CCCCC1)C#N
Show InChI InChI=1S/C31H36F3N7O2S/c1-42-26-16-24-25(17-27(26)43-15-5-10-39-8-3-2-4-9-39)36-21-23(18-35)29(24)40-11-13-41(14-12-40)30(44)38-20-22-6-7-28(37-19-22)31(32,33)34/h6-7,16-17,19,21H,2-5,8-15,20H2,1H3,(H,38,44)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/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))
BDBM50152355
PNG
(4-[3-Cyano-6-methoxy-7-(3-piperidin-1-yl-propoxy)-...)
Show SMILES COc1cc2c(N3CCN(CC3)C(=S)NCc3ccc(nc3)C(F)(F)F)c(cnc2cc1OCCCN1CCCCC1)C#N
Show InChI InChI=1S/C31H36F3N7O2S/c1-42-26-16-24-25(17-27(26)43-15-5-10-39-8-3-2-4-9-39)36-21-23(18-35)29(24)40-11-13-41(14-12-40)30(44)38-20-22-6-7-28(37-19-22)31(32,33)34/h6-7,16-17,19,21H,2-5,8-15,20H2,1H3,(H,38,44)
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 10n/an/an/an/an/an/a



and In Vivo Sciences Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Platelet derived growth factor receptor beta autophosphorylation in CHO cells


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