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Compile Data Set for Download or QSAR

Found 76 hits with Last Name = 'wang' and Initial = 'dp'   
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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
PDB
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3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Effective concentration required against L100I mutant HIV-1 reverse transcriptase (as per ref 8 in the article)


Bioorg Med Chem Lett 11: 2799-802 (2001)


BindingDB Entry DOI: 10.7270/Q2J103P4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
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17n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity towards L100I mutant HIV-1 reverse transcriptase (as per ref 10 in the article)


Bioorg Med Chem Lett 11: 2799-802 (2001)


BindingDB Entry DOI: 10.7270/Q2J103P4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
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17n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Effective concentration required against wild type HIV-1 reverse transcriptase (as per ref 6 in the article)


Bioorg Med Chem Lett 11: 2799-802 (2001)


BindingDB Entry DOI: 10.7270/Q2J103P4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxyhypusine synthase


(Homo sapiens)
BDBM50583904
PNG
(CHEMBL5091313)
Show SMILES COc1ccccc1Oc1c(N)nc(nc1Cl)-c1ccc(Br)cc1
PDB
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DHPS (unknown origin ) incubated for 30 mins by NAD/NADH-Glow assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00582
BindingDB Entry DOI: 10.7270/Q2BV7MH5
More data for this
Ligand-Target Pair
Deoxyhypusine synthase


(Homo sapiens)
BDBM50583911
PNG
(CHEMBL5079375)
Show SMILES COc1cccc(c1)-c1nc(N)c(Oc2ccccc2OC)c(Cl)n1
PDB
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n/an/a 40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DHPS (unknown origin ) incubated for 30 mins by NAD/NADH-Glow assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00582
BindingDB Entry DOI: 10.7270/Q2BV7MH5
More data for this
Ligand-Target Pair
Deoxyhypusine synthase


(Homo sapiens)
BDBM50583914
PNG
(CHEMBL5074971)
Show SMILES COc1ccccc1Oc1c(N)nc(Cc2ccccc2)nc1Cl
PDB
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n/an/a 50n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DHPS (unknown origin ) incubated for 30 mins by NAD/NADH-Glow assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00582
BindingDB Entry DOI: 10.7270/Q2BV7MH5
More data for this
Ligand-Target Pair
Deoxyhypusine synthase


(Homo sapiens)
BDBM50583906
PNG
(CHEMBL5075342)
Show SMILES COc1ccccc1Oc1c(N)nc(nc1Cl)-c1ccc(Cl)cc1
PDB
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n/an/a 100n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DHPS (unknown origin ) incubated for 30 mins by NAD/NADH-Glow assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00582
BindingDB Entry DOI: 10.7270/Q2BV7MH5
More data for this
Ligand-Target Pair
Deoxyhypusine synthase


(Homo sapiens)
BDBM50583902
PNG
(CHEMBL5091281)
Show SMILES COc1ccccc1Oc1c(N)nc(nc1Cl)-c1ccc(I)cc1
PDB
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n/an/a 180n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DHPS (unknown origin ) incubated for 30 mins by NAD/NADH-Glow assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00582
BindingDB Entry DOI: 10.7270/Q2BV7MH5
More data for this
Ligand-Target Pair
Deoxyhypusine synthase


(Homo sapiens)
BDBM50583898
PNG
(CHEMBL5084409)
Show SMILES COc1ccccc1Oc1c(N)nc(nc1OCCO)-c1ccc(C)cc1
PDB
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n/an/a 180n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DHPS (unknown origin ) incubated for 30 mins by NAD/NADH-Glow assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00582
BindingDB Entry DOI: 10.7270/Q2BV7MH5
More data for this
Ligand-Target Pair
Deoxyhypusine synthase


(Homo sapiens)
BDBM50583900
PNG
(CHEMBL5090481)
Show SMILES COc1ccccc1Oc1c(N)nc(Cc2ccccc2)nc1OCCO
PDB
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n/an/a 320n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DHPS (unknown origin ) incubated for 30 mins by NAD/NADH-Glow assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00582
BindingDB Entry DOI: 10.7270/Q2BV7MH5
More data for this
Ligand-Target Pair
Deoxyhypusine synthase


(Homo sapiens)
BDBM50583895
PNG
(CHEMBL5078063)
Show SMILES COc1ccccc1Oc1c(N)nc(nc1OCCO)-c1cccc(F)c1
PDB
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n/an/a 330n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DHPS (unknown origin ) incubated for 30 mins by NAD/NADH-Glow assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00582
BindingDB Entry DOI: 10.7270/Q2BV7MH5
More data for this
Ligand-Target Pair
Deoxyhypusine synthase


(Homo sapiens)
BDBM50583915
PNG
(CHEMBL5091279)
Show SMILES COc1ccccc1Oc1c(N)nc(nc1Cl)-c1ccccc1
PDB
MMDB

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n/an/a 530n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DHPS (unknown origin ) incubated for 30 mins by NAD/NADH-Glow assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00582
BindingDB Entry DOI: 10.7270/Q2BV7MH5
More data for this
Ligand-Target Pair
Deoxyhypusine synthase


(Homo sapiens)
BDBM50583889
PNG
(CHEMBL5070084)
Show SMILES COc1ccccc1Oc1c(N)nc(nc1OCCO)-c1cccc(I)c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 560n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DHPS (unknown origin ) incubated for 30 mins by NAD/NADH-Glow assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00582
BindingDB Entry DOI: 10.7270/Q2BV7MH5
More data for this
Ligand-Target Pair
Deoxyhypusine synthase


(Homo sapiens)
BDBM50583908
PNG
(CHEMBL5081296)
Show SMILES COc1ccccc1Oc1c(N)nc(nc1Cl)-c1ccc(F)cc1
PDB
MMDB

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n/an/a 640n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DHPS (unknown origin ) incubated for 30 mins by NAD/NADH-Glow assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00582
BindingDB Entry DOI: 10.7270/Q2BV7MH5
More data for this
Ligand-Target Pair
Deoxyhypusine synthase


(Homo sapiens)
BDBM50583899
PNG
(CHEMBL5075319)
Show SMILES COc1ccccc1Oc1c(N)nc(nc1OCCO)-c1cccc(C)c1
PDB
MMDB

KEGG

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n/an/a 1.17E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DHPS (unknown origin ) incubated for 30 mins by NAD/NADH-Glow assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00582
BindingDB Entry DOI: 10.7270/Q2BV7MH5
More data for this
Ligand-Target Pair
Deoxyhypusine synthase


(Homo sapiens)
BDBM50216786
PNG
(CHEMBL229457 | N-(7-Amino-heptyl)-guanidine | N-gu...)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7]
Show InChI InChI=1S/C8H20N4/c9-6-4-2-1-3-5-7-12-8(10)11/h1-7,9H2,(H4,10,11,12)
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n/an/a 1.72E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DHPS (unknown origin ) incubated for 30 mins by NAD/NADH-Glow assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00582
BindingDB Entry DOI: 10.7270/Q2BV7MH5
More data for this
Ligand-Target Pair
Deoxyhypusine synthase


(Homo sapiens)
BDBM50583888
PNG
(CHEMBL5089864)
Show SMILES COc1ccccc1Oc1c(N)nc(nc1OCCO)-c1ccc(I)cc1
PDB
MMDB

KEGG

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n/an/a 2.29E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DHPS (unknown origin ) incubated for 30 mins by NAD/NADH-Glow assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00582
BindingDB Entry DOI: 10.7270/Q2BV7MH5
More data for this
Ligand-Target Pair
Deoxyhypusine synthase


(Homo sapiens)
BDBM50583894
PNG
(CHEMBL5080635)
Show SMILES COc1ccccc1Oc1c(N)nc(nc1OCCO)-c1ccc(F)cc1
PDB
MMDB

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n/an/a 2.38E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DHPS (unknown origin ) incubated for 30 mins by NAD/NADH-Glow assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00582
BindingDB Entry DOI: 10.7270/Q2BV7MH5
More data for this
Ligand-Target Pair
Deoxyhypusine synthase


(Homo sapiens)
BDBM50583891
PNG
(CHEMBL5080971)
Show SMILES COc1ccccc1Oc1c(N)nc(nc1OCCO)-c1cccc(Br)c1
PDB
MMDB

KEGG

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n/an/a 4.31E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DHPS (unknown origin ) incubated for 30 mins by NAD/NADH-Glow assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00582
BindingDB Entry DOI: 10.7270/Q2BV7MH5
More data for this
Ligand-Target Pair
Deoxyhypusine synthase


(Homo sapiens)
BDBM50583893
PNG
(CHEMBL5073964)
Show SMILES COc1ccccc1Oc1c(N)nc(nc1OCCO)-c1cccc(Cl)c1
PDB
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n/an/a 4.42E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DHPS (unknown origin ) incubated for 30 mins by NAD/NADH-Glow assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00582
BindingDB Entry DOI: 10.7270/Q2BV7MH5
More data for this
Ligand-Target Pair
Deoxyhypusine synthase


(Homo sapiens)
BDBM50583896
PNG
(CHEMBL5078229)
Show SMILES COc1ccccc1Oc1c(N)nc(nc1OCCO)-c1ccccc1F
PDB
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n/an/a 5.43E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DHPS (unknown origin ) incubated for 30 mins by NAD/NADH-Glow assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00582
BindingDB Entry DOI: 10.7270/Q2BV7MH5
More data for this
Ligand-Target Pair
Deoxyhypusine synthase


(Homo sapiens)
BDBM50583890
PNG
(CHEMBL5091549)
Show SMILES COc1ccccc1Oc1c(N)nc(nc1OCCO)-c1ccc(Br)cc1
PDB
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n/an/a 1.18E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DHPS (unknown origin ) incubated for 30 mins by NAD/NADH-Glow assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00582
BindingDB Entry DOI: 10.7270/Q2BV7MH5
More data for this
Ligand-Target Pair
Deoxyhypusine synthase


(Homo sapiens)
BDBM50583909
PNG
(CHEMBL5081865)
Show SMILES COc1ccccc1Oc1c(N)nc(nc1Cl)-c1ccccc1F
PDB
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n/an/a 1.29E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DHPS (unknown origin ) incubated for 30 mins by NAD/NADH-Glow assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00582
BindingDB Entry DOI: 10.7270/Q2BV7MH5
More data for this
Ligand-Target Pair
Deoxyhypusine synthase


(Homo sapiens)
BDBM50583910
PNG
(CHEMBL5092133)
Show SMILES COc1ccc(cc1)-c1nc(N)c(Oc2ccccc2OC)c(Cl)n1
PDB
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n/an/a 1.82E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DHPS (unknown origin ) incubated for 30 mins by NAD/NADH-Glow assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00582
BindingDB Entry DOI: 10.7270/Q2BV7MH5
More data for this
Ligand-Target Pair
Deoxyhypusine synthase


(Homo sapiens)
BDBM50583907
PNG
(CHEMBL5089522)
Show SMILES COc1ccccc1Oc1c(N)nc(nc1Cl)-c1cccc(Cl)c1
PDB
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n/an/a 2.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DHPS (unknown origin ) incubated for 30 mins by NAD/NADH-Glow assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00582
BindingDB Entry DOI: 10.7270/Q2BV7MH5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50570077
PNG
(CHEMBL4874971)
Show SMILES Cc1ccc(cc1)-n1cc(nn1)-c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
PDB
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n/an/a 2.64E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged VEGFR2 expressed in Baculovirus expression system using ADP-Glo as substrate measured after 30 mins in pre...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113083
BindingDB Entry DOI: 10.7270/Q2TX3K4B
More data for this
Ligand-Target Pair
Deoxyhypusine synthase


(Homo sapiens)
BDBM50583913
PNG
(CHEMBL5069826)
Show SMILES COc1ccccc1Oc1c(N)nc(nc1Cl)-c1cccc(C)c1
PDB
MMDB

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n/an/a 3.37E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DHPS (unknown origin ) incubated for 30 mins by NAD/NADH-Glow assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00582
BindingDB Entry DOI: 10.7270/Q2BV7MH5
More data for this
Ligand-Target Pair
Deoxyhypusine synthase


(Homo sapiens)
BDBM50583905
PNG
(CHEMBL5072102)
Show SMILES COc1ccccc1Oc1c(N)nc(nc1Cl)-c1cccc(Br)c1
PDB
MMDB

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n/an/a 3.58E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DHPS (unknown origin ) incubated for 30 mins by NAD/NADH-Glow assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00582
BindingDB Entry DOI: 10.7270/Q2BV7MH5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50570091
PNG
(CHEMBL4866291)
Show SMILES Cc1ccc(cc1)-n1cc(nn1)-c1ccc(\C=C2/C(=O)Nc3ccc(F)cc23)cc1
PDB
MMDB

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n/an/a 3.69E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged VEGFR2 expressed in Baculovirus expression system using ADP-Glo as substrate measured after 30 mins in pre...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113083
BindingDB Entry DOI: 10.7270/Q2TX3K4B
More data for this
Ligand-Target Pair
Deoxyhypusine synthase


(Homo sapiens)
BDBM50583892
PNG
(CHEMBL5081207)
Show SMILES COc1ccccc1Oc1c(N)nc(nc1OCCO)-c1ccc(Cl)cc1
PDB
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n/an/a 3.81E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DHPS (unknown origin ) incubated for 30 mins by NAD/NADH-Glow assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00582
BindingDB Entry DOI: 10.7270/Q2BV7MH5
More data for this
Ligand-Target Pair
Deoxyhypusine synthase


(Homo sapiens)
BDBM50583903
PNG
(CHEMBL5092168)
Show SMILES COc1ccccc1Oc1c(N)nc(nc1Cl)-c1cccc(I)c1
PDB
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n/an/a 3.87E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DHPS (unknown origin ) incubated for 30 mins by NAD/NADH-Glow assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00582
BindingDB Entry DOI: 10.7270/Q2BV7MH5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50570076
PNG
(CHEMBL4864168)
Show SMILES Cc1cccc(c1)-n1cc(nn1)-c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
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n/an/a 4.47E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged VEGFR2 expressed in Baculovirus expression system using ADP-Glo as substrate measured after 30 mins in pre...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113083
BindingDB Entry DOI: 10.7270/Q2TX3K4B
More data for this
Ligand-Target Pair
Deoxyhypusine synthase


(Homo sapiens)
BDBM50583901
PNG
(CHEMBL5083806)
Show SMILES COc1ccccc1Oc1c(N)nc(nc1OCCO)-c1ccccc1
PDB
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n/an/a 5.37E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DHPS (unknown origin ) incubated for 30 mins by NAD/NADH-Glow assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00582
BindingDB Entry DOI: 10.7270/Q2BV7MH5
More data for this
Ligand-Target Pair
Deoxyhypusine synthase


(Homo sapiens)
BDBM50583912
PNG
(CHEMBL5083278)
Show SMILES COc1ccccc1Oc1c(N)nc(nc1Cl)-c1ccc(C)cc1
PDB
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n/an/a 5.91E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DHPS (unknown origin ) incubated for 30 mins by NAD/NADH-Glow assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00582
BindingDB Entry DOI: 10.7270/Q2BV7MH5
More data for this
Ligand-Target Pair
Deoxyhypusine synthase


(Homo sapiens)
BDBM50061101
PNG
(4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1
Show InChI InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)
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n/an/a 6.08E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DHPS (unknown origin ) incubated for 30 mins by NAD/NADH-Glow assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00582
BindingDB Entry DOI: 10.7270/Q2BV7MH5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50570089
PNG
(CHEMBL4863263)
Show SMILES Cc1ccccc1-n1cc(nn1)-c1ccc(C=C2C(=O)Nc3ccc(F)cc23)cc1
PDB
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n/an/a 7.16E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged VEGFR2 expressed in Baculovirus expression system using ADP-Glo as substrate measured after 30 mins in pre...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113083
BindingDB Entry DOI: 10.7270/Q2TX3K4B
More data for this
Ligand-Target Pair
Deoxyhypusine synthase


(Homo sapiens)
BDBM50583897
PNG
(CHEMBL5091437)
Show SMILES COc1cccc(c1)-c1nc(N)c(Oc2ccccc2OC)c(OCCO)n1
PDB
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n/an/a 8.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DHPS (unknown origin ) incubated for 30 mins by NAD/NADH-Glow assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00582
BindingDB Entry DOI: 10.7270/Q2BV7MH5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 8.32E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged VEGFR2 expressed in Baculovirus expression system using ADP-Glo as substrate measured after 30 mins in pre...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113083
BindingDB Entry DOI: 10.7270/Q2TX3K4B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50570090
PNG
(CHEMBL4857454)
Show SMILES Cc1cccc(c1)-n1cc(nn1)-c1ccc(\C=C2/C(=O)Nc3ccc(F)cc23)cc1
PDB
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n/an/a 8.92E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged VEGFR2 expressed in Baculovirus expression system using ADP-Glo as substrate measured after 30 mins in pre...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113083
BindingDB Entry DOI: 10.7270/Q2TX3K4B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50570074
PNG
(CHEMBL4856891)
Show SMILES O=C1Nc2ccccc2\C1=C\c1ccc(cc1)-c1cn(nn1)-c1ccccc1
PDB
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n/an/a 9.31E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged VEGFR2 expressed in Baculovirus expression system using ADP-Glo as substrate measured after 30 mins in pre...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113083
BindingDB Entry DOI: 10.7270/Q2TX3K4B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50570088
PNG
(CHEMBL4847439)
Show SMILES Fc1ccc2NC(=O)C(=Cc3ccc(cc3)-c3cn(nn3)-c3ccccc3)c2c1
PDB
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n/an/a 9.97E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged VEGFR2 expressed in Baculovirus expression system using ADP-Glo as substrate measured after 30 mins in pre...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113083
BindingDB Entry DOI: 10.7270/Q2TX3K4B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50570087
PNG
(CHEMBL4864073)
Show SMILES FC(F)(F)c1cc(ccc1Cl)-n1cc(nn1)-c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
PDB
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n/an/a 1.08E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged VEGFR2 expressed in Baculovirus expression system using ADP-Glo as substrate measured after 30 mins in pre...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113083
BindingDB Entry DOI: 10.7270/Q2TX3K4B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50570075
PNG
(CHEMBL4873974)
Show SMILES Cc1ccccc1-n1cc(nn1)-c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
PDB
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n/an/a 1.11E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged VEGFR2 expressed in Baculovirus expression system using ADP-Glo as substrate measured after 30 mins in pre...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113083
BindingDB Entry DOI: 10.7270/Q2TX3K4B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50570078
PNG
(CHEMBL4856794)
Show SMILES Fc1ccccc1-n1cc(nn1)-c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
PDB
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n/an/a 1.15E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged VEGFR2 expressed in Baculovirus expression system using ADP-Glo as substrate measured after 30 mins in pre...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113083
BindingDB Entry DOI: 10.7270/Q2TX3K4B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50570095
PNG
(CHEMBL4856663)
Show SMILES Fc1ccc2NC(=O)\C(=C/c3ccc(cc3)-c3cn(nn3)-c3ccccc3Cl)c2c1
PDB
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n/an/a 1.20E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged VEGFR2 expressed in Baculovirus expression system using ADP-Glo as substrate measured after 30 mins in pre...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113083
BindingDB Entry DOI: 10.7270/Q2TX3K4B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50570092
PNG
(CHEMBL4876341)
Show SMILES Fc1ccc2NC(=O)\C(=C/c3ccc(cc3)-c3cn(nn3)-c3ccccc3F)c2c1
PDB
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n/an/a 1.40E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged VEGFR2 expressed in Baculovirus expression system using ADP-Glo as substrate measured after 30 mins in pre...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113083
BindingDB Entry DOI: 10.7270/Q2TX3K4B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50570083
PNG
(CHEMBL4872149)
Show SMILES Clc1ccc(cc1)-n1cc(nn1)-c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
PDB
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n/an/a 1.63E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged VEGFR2 expressed in Baculovirus expression system using ADP-Glo as substrate measured after 30 mins in pre...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113083
BindingDB Entry DOI: 10.7270/Q2TX3K4B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50570101
PNG
(CHEMBL4846157)
Show SMILES Fc1ccc2NC(=O)\C(=C/c3ccc(cc3)-c3cn(nn3)-c3ccc(Cl)c(c3)C(F)(F)F)c2c1
PDB
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n/an/a 1.69E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged VEGFR2 expressed in Baculovirus expression system using ADP-Glo as substrate measured after 30 mins in pre...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113083
BindingDB Entry DOI: 10.7270/Q2TX3K4B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50570084
PNG
(CHEMBL4878880)
Show SMILES O=C1Nc2ccccc2\C1=C\c1ccc(cc1)-c1cn(nn1)-c1ccccc1C#N
PDB
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n/an/a 1.69E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged VEGFR2 expressed in Baculovirus expression system using ADP-Glo as substrate measured after 30 mins in pre...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113083
BindingDB Entry DOI: 10.7270/Q2TX3K4B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50570097
PNG
(CHEMBL4871475)
Show SMILES Fc1ccc2NC(=O)C(=Cc3ccc(cc3)-c3cn(nn3)-c3ccc(Cl)cc3)c2c1
PDB
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n/an/a 1.70E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged VEGFR2 expressed in Baculovirus expression system using ADP-Glo as substrate measured after 30 mins in pre...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113083
BindingDB Entry DOI: 10.7270/Q2TX3K4B
More data for this
Ligand-Target Pair
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