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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Platelet-derived growth factor receptor beta' and Ligand = 'BDBM227930'   
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))
BDBM227930
PNG
(US10047096, 191 | cis-Ethyl 3-[({4-[(2-fluoro-5-hy...)
Show SMILES CCOC(=O)[C@@H]1C[C@@H](C1)NCc1ccc2Nc3nccc(Nc4cc(O)c(C)cc4F)c3C(=O)Nc2c1 |r,wU:7.9,5.4,(10.32,4.14,;10.32,2.6,;8.99,1.83,;8.99,.29,;10.32,-.48,;7.65,-.48,;6.17,-.09,;5.77,-1.57,;7.26,-1.97,;4.43,-2.34,;3.66,-3.68,;2.12,-3.68,;1.46,-5.06,;-.08,-5.18,;-.95,-3.91,;-2.45,-4.25,;-3.65,-3.29,;-4.99,-4.06,;-6.32,-3.29,;-6.32,-1.75,;-4.99,-.98,;-4.99,.56,;-6.32,1.33,;-6.32,2.87,;-7.65,3.64,;-7.65,5.18,;-8.99,2.87,;-10.32,3.64,;-8.99,1.33,;-7.65,.56,;-7.65,-.98,;-3.65,-1.75,;-2.45,-.79,;-2.85,.7,;-.95,-1.13,;-.28,-2.52,;1.26,-2.41,)|
Show InChI InChI=1S/C27H28FN5O4/c1-3-37-27(36)16-10-17(11-16)30-13-15-4-5-19-22(9-15)33-26(35)24-20(6-7-29-25(24)32-19)31-21-12-23(34)14(2)8-18(21)28/h4-9,12,16-17,30,34H,3,10-11,13H2,1-2H3,(H,33,35)(H2,29,31,32)/t16-,17+
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.626n/an/an/an/a7.522



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human PDGFRβ (amino acids R561-L1106), expr...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair