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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 = 'BDBM50117377'   
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))
BDBM50117377
PNG
(4-{7-[3-(4,4-Difluoro-piperidin-1-yl)-propoxy]-6-m...)
Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCC(F)(F)CC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
Show InChI InChI=1S/C31H40F2N6O4/c1-22(2)43-24-7-5-23(6-8-24)36-30(40)39-16-14-38(15-17-39)29-25-19-27(41-3)28(20-26(25)34-21-35-29)42-18-4-11-37-12-9-31(32,33)10-13-37/h5-8,19-22H,4,9-18H2,1-3H3,(H,36,40)
PDB
MMDB

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PubMed
n/an/a 40n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of platelet-derived growth factor receptor beta phosphorylation in MG63 cells in the absence of plasma


J Med Chem 45: 3772-93 (2002)


BindingDB Entry DOI: 10.7270/Q2WW7JD9
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50117377
PNG
(4-{7-[3-(4,4-Difluoro-piperidin-1-yl)-propoxy]-6-m...)
Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCC(F)(F)CC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
Show InChI InChI=1S/C31H40F2N6O4/c1-22(2)43-24-7-5-23(6-8-24)36-30(40)39-16-14-38(15-17-39)29-25-19-27(41-3)28(20-26(25)34-21-35-29)42-18-4-11-37-12-9-31(32,33)10-13-37/h5-8,19-22H,4,9-18H2,1-3H3,(H,36,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a 90n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of platelet derived growth factor receptor beta phosphorylation in MG63 cells in the presence of human plasma


J Med Chem 45: 3772-93 (2002)


BindingDB Entry DOI: 10.7270/Q2WW7JD9
More data for this
Ligand-Target Pair