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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 = 'BDBM445227'   
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))
BDBM445227
PNG
(US10669235, Example 18 | US11208381, Example 18)
Show SMILES COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NC3CCN(C)CC3)c3ccccc3)c2cc1C
Show InChI InChI=1S/C31H32N4O4/c1-19-17-25-26(18-24(19)31(38)39-3)34-30(37)27(25)28(20-7-5-4-6-8-20)32-22-11-9-21(10-12-22)29(36)33-23-13-15-35(2)16-14-23/h4-12,17-18,23,32H,13-16H2,1-3H3,(H,33,36)(H,34,37)/b28-27-
PDB
MMDB

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PC cid
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7.99n/an/an/an/an/an/an/an/a


TBA

Assay Description
Assay was performed in buffer containing 40 mM Tris pH 7.5, 20 mM MgCl2, 0.1 mg/mL BSA and 1 mM DTT. The inhibitory activities of compounds of the in...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XP784N
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM445227
PNG
(US10669235, Example 18 | US11208381, Example 18)
Show SMILES COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NC3CCN(C)CC3)c3ccccc3)c2cc1C
Show InChI InChI=1S/C31H32N4O4/c1-19-17-25-26(18-24(19)31(38)39-3)34-30(37)27(25)28(20-7-5-4-6-8-20)32-22-11-9-21(10-12-22)29(36)33-23-13-15-35(2)16-14-23/h4-12,17-18,23,32H,13-16H2,1-3H3,(H,33,36)(H,34,37)/b28-27-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
7.99n/an/an/an/an/an/an/an/a



RESPIVERT LIMITED

US Patent


Assay Description
The inhibitory activities of compounds of the invention against PDGFRβ (PDGFRβ Kinase Enzyme System: Promega), were evaluated by mixing the...


US Patent US10669235 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NVJ
More data for this
Ligand-Target Pair