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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 = 'BDBM50279592'   
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))
BDBM50279592
PNG
(CHEMBL4166187)
Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N3CCC(CN4CCN(C)CC4)C3=O)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C33H35N5O4/c1-36-16-18-37(19-17-36)21-24-14-15-38(32(24)40)26-11-9-25(10-12-26)34-30(22-6-4-3-5-7-22)29-27-13-8-23(33(41)42-2)20-28(27)35-31(29)39/h3-13,20,24,34H,14-19,21H2,1-2H3,(H,35,39)/b30-29-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
H1-antihistamine activity on guinea pig ileum


ACS Med Chem Lett 8: 1142-1147 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00164
BindingDB Entry DOI: 10.7270/Q2TM7DND
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Mus musculus (mouse))
BDBM50279592
PNG
(CHEMBL4166187)
Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N3CCC(CN4CCN(C)CC4)C3=O)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C33H35N5O4/c1-36-16-18-37(19-17-36)21-24-14-15-38(32(24)40)26-11-9-25(10-12-26)34-30(22-6-4-3-5-7-22)29-27-13-8-23(33(41)42-2)20-28(27)35-31(29)39/h3-13,20,24,34H,14-19,21H2,1-2H3,(H,35,39)/b30-29-
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PDGFR in mouse NIH/3T3 cells assessed as reduction in recombinant human PDGF-BB-induced cell proliferation after 42 hrs by cell titer 9...


ACS Med Chem Lett 8: 1142-1147 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00164
BindingDB Entry DOI: 10.7270/Q2TM7DND
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Mus musculus (mouse))
BDBM50279592
PNG
(CHEMBL4166187)
Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N3CCC(CN4CCN(C)CC4)C3=O)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C33H35N5O4/c1-36-16-18-37(19-17-36)21-24-14-15-38(32(24)40)26-11-9-25(10-12-26)34-30(22-6-4-3-5-7-22)29-27-13-8-23(33(41)42-2)20-28(27)35-31(29)39/h3-13,20,24,34H,14-19,21H2,1-2H3,(H,35,39)/b30-29-
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PDGFR in mouse NIH/3T3 cells assessed as reduction in recombinant human PDGF-BB-induced cell proliferation after 42 hrs by cell titer 9...


ACS Med Chem Lett 8: 1142-1147 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00164
BindingDB Entry DOI: 10.7270/Q2TM7DND
More data for this
Ligand-Target Pair