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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vascular endothelial growth factor receptor 2' and Ligand = 'BDBM227929'   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM227929
PNG
(4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-{[(...)
Show SMILES CC(C)OC1CC(C1)NCc1ccc2Nc3nccc(Nc4cc(O)c(C)cc4F)c3C(=O)Nc2c1 |(10.99,.29,;9.65,-.48,;9.65,-2.02,;8.32,.29,;6.99,-.48,;6.59,-1.97,;5.1,-1.57,;5.5,-.09,;3.77,-2.34,;3,-3.68,;1.46,-3.68,;.79,-5.06,;-.75,-5.18,;-1.61,-3.91,;-3.12,-4.25,;-4.32,-3.29,;-5.65,-4.06,;-6.99,-3.29,;-6.99,-1.75,;-5.65,-.98,;-5.65,.56,;-6.99,1.33,;-6.99,2.87,;-8.32,3.64,;-8.32,5.18,;-9.65,2.87,;-10.99,3.64,;-9.65,1.33,;-8.32,.56,;-8.32,-.98,;-4.32,-1.75,;-3.12,-.79,;-3.51,.7,;-1.61,-1.13,;-.95,-2.52,;.59,-2.41,)|
Show InChI InChI=1S/C27H30FN5O3/c1-14(2)36-18-10-17(11-18)30-13-16-4-5-20-23(9-16)33-27(35)25-21(6-7-29-26(25)32-20)31-22-12-24(34)15(3)8-19(22)28/h4-9,12,14,17-18,30,34H,10-11,13H2,1-3H3,(H,33,35)(H2,29,31,32)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.503n/an/an/an/a7.0n/a



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 KDR (amino acids D807-V1356), expresse...

US Patent US10047096 (2018)


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