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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vascular endothelial growth factor receptor 1' and Ligand = 'BDBM445251'   
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 1


(Homo sapiens (Human))
BDBM445251
PNG
(US10669235, Example 42 | US11208381, Example 42)
Show SMILES COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NCCN3CCC(CO)CC3)c3ccccc3)c2cc1C
Show InChI InChI=1S/C33H36N4O5/c1-21-18-27-28(19-26(21)33(41)42-2)36-32(40)29(27)30(23-6-4-3-5-7-23)35-25-10-8-24(9-11-25)31(39)34-14-17-37-15-12-22(20-38)13-16-37/h3-11,18-19,22,35,38H,12-17,20H2,1-2H3,(H,34,39)(H,36,40)/b30-29-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
80.6n/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, 1 mM DTT and 2 mM MnCl2. The inhibitory activities of compoun...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XP784N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM445251
PNG
(US10669235, Example 42 | US11208381, Example 42)
Show SMILES COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NCCN3CCC(CO)CC3)c3ccccc3)c2cc1C
Show InChI InChI=1S/C33H36N4O5/c1-21-18-27-28(19-26(21)33(41)42-2)36-32(40)29(27)30(23-6-4-3-5-7-23)35-25-10-8-24(9-11-25)31(39)34-14-17-37-15-12-22(20-38)13-16-37/h3-11,18-19,22,35,38H,12-17,20H2,1-2H3,(H,34,39)(H,36,40)/b30-29-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
80.6n/an/an/an/an/an/an/an/a



RESPIVERT LIMITED

US Patent


Assay Description
The inhibitory activities of compounds of the invention against VEGFR1 (VEGFR1 Kinase Enzyme System: Promega), were evaluated by mixing the VEGFR1 pr...


US Patent US10669235 (2020)


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