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Compile Data Set for Download or QSAR

Found 8 hits with Last Name = 'boyar' and Initial = 'w'   
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
Phospholipase D2


(Homo sapiens (Human))
BDBM50206156
PNG
(CHEMBL246240 | N-(2-(4-(2-oxo-2,3-dihydrobenzo[d]i...)
Show SMILES O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C23H25N5O2/c29-22(20-15-16-5-1-2-6-18(16)25-20)24-11-14-27-12-9-17(10-13-27)28-21-8-4-3-7-19(21)26-23(28)30/h1-8,15,17,25H,9-14H2,(H,24,29)(H,26,30)
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n/an/a 20n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PLD2


Bioorg Med Chem Lett 17: 2310-1 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.059
BindingDB Entry DOI: 10.7270/Q21G0KXW
More data for this
Ligand-Target Pair
Phospholipase D2


(Homo sapiens (Human))
BDBM123744
PNG
(5-Fluoro-N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imi...)
Show SMILES Fc1ccc2[nH]c(cc2c1)C(=O)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C23H24FN5O2/c24-16-5-6-18-15(13-16)14-20(26-18)22(30)25-9-12-28-10-7-17(8-11-28)29-21-4-2-1-3-19(21)27-23(29)31/h1-6,13-14,17,26H,7-12H2,(H,25,30)(H,27,31)
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MCE
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n/an/a 20n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PLD2


Bioorg Med Chem Lett 17: 2310-1 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.059
BindingDB Entry DOI: 10.7270/Q21G0KXW
More data for this
Ligand-Target Pair
Phospholipase D2


(Homo sapiens (Human))
BDBM50206153
PNG
(CHEMBL246032 | N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo...)
Show SMILES O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1cnc2ccccc2c1
Show InChI InChI=1S/C24H25N5O2/c30-23(18-15-17-5-1-2-6-20(17)26-16-18)25-11-14-28-12-9-19(10-13-28)29-22-8-4-3-7-21(22)27-24(29)31/h1-8,15-16,19H,9-14H2,(H,25,30)(H,27,31)
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n/an/a 600n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PLD2


Bioorg Med Chem Lett 17: 2310-1 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.059
BindingDB Entry DOI: 10.7270/Q21G0KXW
More data for this
Ligand-Target Pair
Phospholipase D2


(Homo sapiens (Human))
BDBM50206155
PNG
(CHEMBL246031 | N-(2-(4-(2-oxo-2,3-dihydrobenzo[d]i...)
Show SMILES O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccsc1
Show InChI InChI=1S/C19H22N4O2S/c24-18(14-7-12-26-13-14)20-8-11-22-9-5-15(6-10-22)23-17-4-2-1-3-16(17)21-19(23)25/h1-4,7,12-13,15H,5-6,8-11H2,(H,20,24)(H,21,25)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PLD2


Bioorg Med Chem Lett 17: 2310-1 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.059
BindingDB Entry DOI: 10.7270/Q21G0KXW
More data for this
Ligand-Target Pair
Phospholipase D2


(Homo sapiens (Human))
BDBM50206159
PNG
(4-fluoro-N-(2-(4-(2-oxo-2,3-dihydrobenzo[d]imidazo...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C21H23FN4O2/c22-16-7-5-15(6-8-16)20(27)23-11-14-25-12-9-17(10-13-25)26-19-4-2-1-3-18(19)24-21(26)28/h1-8,17H,9-14H2,(H,23,27)(H,24,28)
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n/an/a 1.41E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PLD2


Bioorg Med Chem Lett 17: 2310-1 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.059
BindingDB Entry DOI: 10.7270/Q21G0KXW
More data for this
Ligand-Target Pair
Phospholipase D2


(Homo sapiens (Human))
BDBM50206160
PNG
(CHEMBL245621 | Halopemide | Halopemide, 8 | N-(2-(...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C21H22ClFN4O2/c22-15-3-6-19-18(13-15)25-21(29)27(19)17-7-10-26(11-8-17)12-9-24-20(28)14-1-4-16(23)5-2-14/h1-6,13,17H,7-12H2,(H,24,28)(H,25,29)
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Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PLD2


Bioorg Med Chem Lett 17: 2310-1 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.059
BindingDB Entry DOI: 10.7270/Q21G0KXW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phospholipase D2


(Homo sapiens (Human))
BDBM50206154
PNG
(CHEMBL245623 | N-(2-(4-(2-oxo-2,3-dihydrobenzo[d]i...)
Show SMILES O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C21H24N4O2/c26-20(16-6-2-1-3-7-16)22-12-15-24-13-10-17(11-14-24)25-19-9-5-4-8-18(19)23-21(25)27/h1-9,17H,10-15H2,(H,22,26)(H,23,27)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PLD2


Bioorg Med Chem Lett 17: 2310-1 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.059
BindingDB Entry DOI: 10.7270/Q21G0KXW
More data for this
Ligand-Target Pair
Phospholipase D2


(Homo sapiens (Human))
BDBM50206157
PNG
(CHEMBL398568 | N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo...)
Show SMILES O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1cc2ccccc2s1
Show InChI InChI=1S/C23H24N4O2S/c28-22(21-15-16-5-1-4-8-20(16)30-21)24-11-14-26-12-9-17(10-13-26)27-19-7-3-2-6-18(19)25-23(27)29/h1-8,15,17H,9-14H2,(H,24,28)(H,25,29)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PLD2


Bioorg Med Chem Lett 17: 2310-1 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.059
BindingDB Entry DOI: 10.7270/Q21G0KXW
More data for this
Ligand-Target Pair