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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 = 'BDBM50152347'   
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))
BDBM50152347
PNG
(4-[4-(N-Substituted-thio-carbamoyl)-1-piperazinyl]...)
Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(Nc1ccncc1)=NC#N |w:36.41|
Show InChI InChI=1S/C28H35N9O2/c1-38-25-18-23-24(19-26(25)39-17-5-12-35-10-3-2-4-11-35)32-21-33-27(23)36-13-15-37(16-14-36)28(31-20-29)34-22-6-8-30-9-7-22/h6-9,18-19,21H,2-5,10-17H2,1H3,(H,30,31,34)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.71E+4n/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))
BDBM50152347
PNG
(4-[4-(N-Substituted-thio-carbamoyl)-1-piperazinyl]...)
Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(Nc1ccncc1)=NC#N |w:36.41|
Show InChI InChI=1S/C28H35N9O2/c1-38-25-18-23-24(19-26(25)39-17-5-12-35-10-3-2-4-11-35)32-21-33-27(23)36-13-15-37(16-14-36)28(31-20-29)34-22-6-8-30-9-7-22/h6-9,18-19,21H,2-5,10-17H2,1H3,(H,30,31,34)
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 3.17E+4n/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