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Compile Data Set for Download or QSAR

Found 102 hits with Last Name = 'ramarao' and Initial = 'k'   
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
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50581965
PNG
(CHEMBL5094930)
Show SMILES CN(C)Cc1ccc(CNc2nc(N3CCN(CC3)C3CCCC3)c3ncn(CCCN4CCCC4)c3n2)cc1
PDB

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n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TLR9 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CpGB-induced NFkappaB activation measured after overnig...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00532
BindingDB Entry DOI: 10.7270/Q2Z89H9Q
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50581969
PNG
(CHEMBL5078399)
Show SMILES CCN1CCN(CC1)c1nc(NCc2ccc(F)cc2)nc2n(CCCN3CCCC3)cnc12
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n/an/a 40n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TLR9 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CpGB-induced NFkappaB activation measured after overnig...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00532
BindingDB Entry DOI: 10.7270/Q2Z89H9Q
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50205525
PNG
(4-{2-[5-Chloro-2-(2-{[(2-chlorobenzyl)sulfonyl]ami...)
Show SMILES OC(=O)c1ccc(OCCc2c(CCNS(=O)(=O)Cc3ccccc3Cl)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C39H34Cl2N2O5S/c40-31-17-20-36-34(25-31)33(22-24-48-32-18-15-29(16-19-32)39(44)45)37(21-23-42-49(46,47)26-30-13-7-8-14-35(30)41)43(36)38(27-9-3-1-4-10-27)28-11-5-2-6-12-28/h1-20,25,38,42H,21-24,26H2,(H,44,45)
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n/an/a 52n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human cPLA2 alpha by GLU micelle assay


J Med Chem 50: 1380-400 (2007)


Article DOI: 10.1021/jm061131z
BindingDB Entry DOI: 10.7270/Q23F4PB9
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50581980
PNG
(CHEMBL5086543)
Show SMILES CCN1CCN(CCCn2cnc3c(nc(NC(=O)c4ccc(CN(C)C)cc4)nc23)N2CCN(CC2)C2CCCC2)CC1
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n/an/a 60n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TLR9 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CpGB-induced NFkappaB activation measured after overnig...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00532
BindingDB Entry DOI: 10.7270/Q2Z89H9Q
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50581992
PNG
(CHEMBL5088130)
Show SMILES CCN1CCN(CC1)c1nc(NCc2ccc(OC)cc2)nc2n(CCCN3CCCC3)cnc12
PDB

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n/an/a 80n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TLR9 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CpGB-induced NFkappaB activation measured after overnig...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00532
BindingDB Entry DOI: 10.7270/Q2Z89H9Q
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50581966
PNG
(CHEMBL5091556)
Show SMILES CCN1CCN(CC1)c1nc(NCc2ccc(CN(C)C)cc2)nc2n(CCCN3CCCC3)cnc12
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n/an/a 90n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TLR9 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CpGB-induced NFkappaB activation measured after overnig...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00532
BindingDB Entry DOI: 10.7270/Q2Z89H9Q
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50205516
PNG
(4-{2-[5-chloro-2-(2-{[(2,4-dichlorobenzyl)sulfonyl...)
Show SMILES OC(=O)c1ccc(OCCc2c(CCNS(=O)(=O)Cc3ccc(Cl)cc3Cl)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C39H33Cl3N2O5S/c40-30-15-18-36-34(23-30)33(20-22-49-32-16-12-28(13-17-32)39(45)46)37(19-21-43-50(47,48)25-29-11-14-31(41)24-35(29)42)44(36)38(26-7-3-1-4-8-26)27-9-5-2-6-10-27/h1-18,23-24,38,43H,19-22,25H2,(H,45,46)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human cPLA2 alpha by GLU micelle assay


J Med Chem 50: 1380-400 (2007)


Article DOI: 10.1021/jm061131z
BindingDB Entry DOI: 10.7270/Q23F4PB9
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50581967
PNG
(CHEMBL5074861)
Show SMILES Fc1ccc(CNc2nc(N3CCN(CC3)C3CCCC3)c3ncn(CCCN4CCCC4)c3n2)cc1
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TBA

Assay Description
Antagonist activity at human TLR9 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CpGB-induced NFkappaB activation measured after overnig...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00532
BindingDB Entry DOI: 10.7270/Q2Z89H9Q
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50205513
PNG
(4-{2-[5-chloro-2-(2-{[(2,3-dichlorobenzyl)sulfonyl...)
Show SMILES OC(=O)c1ccc(OCCc2c(CCNS(=O)(=O)Cc3cccc(Cl)c3Cl)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C39H33Cl3N2O5S/c40-30-16-19-35-33(24-30)32(21-23-49-31-17-14-28(15-18-31)39(45)46)36(20-22-43-50(47,48)25-29-12-7-13-34(41)37(29)42)44(35)38(26-8-3-1-4-9-26)27-10-5-2-6-11-27/h1-19,24,38,43H,20-23,25H2,(H,45,46)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human cPLA2 alpha by GLU micelle assay


J Med Chem 50: 1380-400 (2007)


Article DOI: 10.1021/jm061131z
BindingDB Entry DOI: 10.7270/Q23F4PB9
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50205537
PNG
(4-(2-(1-benzhydryl-5-chloro-2-(2-(phenylmethylsulf...)
Show SMILES OC(=O)c1ccc(OCCc2c(CCNS(=O)(=O)Cc3ccccc3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C39H35ClN2O5S/c40-32-18-21-36-35(26-32)34(23-25-47-33-19-16-31(17-20-33)39(43)44)37(22-24-41-48(45,46)27-28-10-4-1-5-11-28)42(36)38(29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-21,26,38,41H,22-25,27H2,(H,43,44)
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n/an/a 110n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human cPLA2 alpha by GLU micelle assay


J Med Chem 50: 1380-400 (2007)


Article DOI: 10.1021/jm061131z
BindingDB Entry DOI: 10.7270/Q23F4PB9
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50205527
PNG
(CHEMBL221504 | N-(((2S,4R)-1-(2-(2,4-difluorobenzo...)
Show SMILES Fc1ccc(C(=O)c2ccccc2C(=O)N2C[C@@H](C[C@H]2CNC(=O)c2ccc(\C=C3/SC(=O)NC3=O)cc2)SC(c2ccccc2)(c2ccccc2)c2ccccc2)c(F)c1
Show InChI InChI=1S/C49H37F2N3O5S2/c50-36-24-25-41(42(51)27-36)44(55)39-18-10-11-19-40(39)47(58)54-30-38(28-37(54)29-52-45(56)32-22-20-31(21-23-32)26-43-46(57)53-48(59)60-43)61-49(33-12-4-1-5-13-33,34-14-6-2-7-15-34)35-16-8-3-9-17-35/h1-27,37-38H,28-30H2,(H,52,56)(H,53,57,59)/b43-26-/t37-,38+/m0/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human cPLA2 alpha by GLU micelle assay


J Med Chem 50: 1380-400 (2007)


Article DOI: 10.1021/jm061131z
BindingDB Entry DOI: 10.7270/Q23F4PB9
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50205532
PNG
(4-{2-[1-benzhydryl-5-nitro-2-(3-phenylmethanesulfo...)
Show SMILES OC(=O)c1ccc(OCCc2c(CCNS(=O)(=O)Cc3ccccc3)n(C(c3ccccc3)c3ccccc3)c3ccc(cc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C39H35N3O7S/c43-39(44)31-16-19-33(20-17-31)49-25-23-34-35-26-32(42(45)46)18-21-36(35)41(38(29-12-6-2-7-13-29)30-14-8-3-9-15-30)37(34)22-24-40-50(47,48)27-28-10-4-1-5-11-28/h1-21,26,38,40H,22-25,27H2,(H,43,44)
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n/an/a 120n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human cPLA2 alpha by GLU micelle assay


J Med Chem 50: 1380-400 (2007)


Article DOI: 10.1021/jm061131z
BindingDB Entry DOI: 10.7270/Q23F4PB9
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50205514
PNG
(4-{2-[5-chloro-2-(2-{[(4-chlorobenzyl)sulfonyl]ami...)
Show SMILES OC(=O)c1ccc(OCCc2c(CCNS(=O)(=O)Cc3ccc(Cl)cc3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C39H34Cl2N2O5S/c40-31-15-11-27(12-16-31)26-49(46,47)42-23-21-37-34(22-24-48-33-18-13-30(14-19-33)39(44)45)35-25-32(41)17-20-36(35)43(37)38(28-7-3-1-4-8-28)29-9-5-2-6-10-29/h1-20,25,38,42H,21-24,26H2,(H,44,45)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human cPLA2 alpha by GLU micelle assay


J Med Chem 50: 1380-400 (2007)


Article DOI: 10.1021/jm061131z
BindingDB Entry DOI: 10.7270/Q23F4PB9
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50581991
PNG
(CHEMBL5087172)
Show SMILES Nc1nc(N2CCN(CC2)C2CCCC2)c2ncn(CCCN3CCCC3)c2n1
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TBA

Assay Description
Antagonist activity at human TLR9 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CpGB-induced NFkappaB activation measured after overnig...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00532
BindingDB Entry DOI: 10.7270/Q2Z89H9Q
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50581977
PNG
(CHEMBL5092134)
Show SMILES CCN1CCN(CCCn2cnc3c(nc(NCc4ccc(OC)cc4)nc23)N2CCN(CC2)C2CCCC2)CC1
PDB

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n/an/a 120n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TLR9 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CpGB-induced NFkappaB activation measured after overnig...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00532
BindingDB Entry DOI: 10.7270/Q2Z89H9Q
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50581971
PNG
(CHEMBL5087425)
Show SMILES CCN1CCN(CCCn2cnc3c(nc(NCc4ccccc4)nc23)N2CCN(CC)CC2)CC1
PDB

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n/an/a 140n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TLR9 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CpGB-induced NFkappaB activation measured after overnig...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00532
BindingDB Entry DOI: 10.7270/Q2Z89H9Q
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50205515
PNG
(4-(2-(1-benzhydryl-5-chloro-2-(2-((3,4-dichlorophe...)
Show SMILES OC(=O)c1ccc(OCCc2c(CCNS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C39H33Cl3N2O5S/c40-30-14-18-36-33(24-30)32(20-22-49-31-15-12-29(13-16-31)39(45)46)37(19-21-43-50(47,48)25-26-11-17-34(41)35(42)23-26)44(36)38(27-7-3-1-4-8-27)28-9-5-2-6-10-28/h1-18,23-24,38,43H,19-22,25H2,(H,45,46)
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n/an/a 150n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human cPLA2 alpha by GLU micelle assay


J Med Chem 50: 1380-400 (2007)


Article DOI: 10.1021/jm061131z
BindingDB Entry DOI: 10.7270/Q23F4PB9
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50581979
PNG
(CHEMBL5078384)
Show SMILES CCN(CC)c1ccc(CNc2nc(N3CCN(CC3)C3CCCC3)c3ncn(CCCN4CCN(CC)CC4)c3n2)cc1
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TBA

Assay Description
Antagonist activity at human TLR9 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CpGB-induced NFkappaB activation measured after overnig...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00532
BindingDB Entry DOI: 10.7270/Q2Z89H9Q
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50205519
PNG
(4-(2-(1-benzhydryl-6-chloro-2-(2-(phenylmethylsulf...)
Show SMILES OC(=O)c1ccc(OCCc2c(CCNS(=O)(=O)Cc3ccccc3)n(C(c3ccccc3)c3ccccc3)c3cc(Cl)ccc23)cc1
Show InChI InChI=1S/C39H35ClN2O5S/c40-32-18-21-34-35(23-25-47-33-19-16-31(17-20-33)39(43)44)36(22-24-41-48(45,46)27-28-10-4-1-5-11-28)42(37(34)26-32)38(29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-21,26,38,41H,22-25,27H2,(H,43,44)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human cPLA2 alpha by GLU micelle assay


J Med Chem 50: 1380-400 (2007)


Article DOI: 10.1021/jm061131z
BindingDB Entry DOI: 10.7270/Q23F4PB9
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50581990
PNG
(CHEMBL5075899)
Show SMILES CCN1CCN(CC1)c1nc(N)nc2n(CCCN3CCCC3)cnc12
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TBA

Assay Description
Antagonist activity at human TLR9 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CpGB-induced NFkappaB activation measured after overnig...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00532
BindingDB Entry DOI: 10.7270/Q2Z89H9Q
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50205540
PNG
(4-{2-[5-chloro-2-(2-{[(3,5-dichlorobenzyl)sulfonyl...)
Show SMILES OC(=O)c1ccc(OCCc2c(CCNS(=O)(=O)Cc3cc(Cl)cc(Cl)c3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C39H33Cl3N2O5S/c40-30-13-16-36-35(24-30)34(18-20-49-33-14-11-29(12-15-33)39(45)46)37(17-19-43-50(47,48)25-26-21-31(41)23-32(42)22-26)44(36)38(27-7-3-1-4-8-27)28-9-5-2-6-10-28/h1-16,21-24,38,43H,17-20,25H2,(H,45,46)
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n/an/a 190n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human cPLA2 alpha by GLU micelle assay


J Med Chem 50: 1380-400 (2007)


Article DOI: 10.1021/jm061131z
BindingDB Entry DOI: 10.7270/Q23F4PB9
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50581972
PNG
(CHEMBL5089259)
Show SMILES CCN1CCN(CCCn2cnc3c(nc(NCc4ccc(OC)cc4)nc23)N2CCN(CC)CC2)CC1
PDB

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n/an/a 200n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TLR9 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CpGB-induced NFkappaB activation measured after overnig...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00532
BindingDB Entry DOI: 10.7270/Q2Z89H9Q
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50581968
PNG
(CHEMBL5087096)
Show SMILES COc1ccc(CNc2nc(N3CCN(CC3)C3CCCC3)c3ncn(CCCN4CCCC4)c3n2)cc1
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n/an/a 240n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TLR9 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CpGB-induced NFkappaB activation measured after overnig...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00532
BindingDB Entry DOI: 10.7270/Q2Z89H9Q
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50581978
PNG
(CHEMBL5082124)
Show SMILES CCN1CCN(CCCn2cnc3c(nc(NCc4ccc(F)cc4)nc23)N2CCN(CC2)C2CCCC2)CC1
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n/an/a 250n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TLR9 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CpGB-induced NFkappaB activation measured after overnig...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00532
BindingDB Entry DOI: 10.7270/Q2Z89H9Q
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50581993
PNG
(CHEMBL5079289)
Show SMILES CCN1CCN(CCCn2cnc3c(nc(N)nc23)N2CCN(CC)CC2)CC1
PDB

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n/an/a 260n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TLR9 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CpGB-induced NFkappaB activation measured after overnig...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00532
BindingDB Entry DOI: 10.7270/Q2Z89H9Q
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50205533
PNG
(4-{2-[2-{3-[(benzylsulfonyl)amino]propyl}-5-chloro...)
Show SMILES OC(=O)c1ccc(OCCc2c(CCCNS(=O)(=O)Cc3ccccc3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C40H37ClN2O5S/c41-33-20-23-38-36(27-33)35(24-26-48-34-21-18-32(19-22-34)40(44)45)37(17-10-25-42-49(46,47)28-29-11-4-1-5-12-29)43(38)39(30-13-6-2-7-14-30)31-15-8-3-9-16-31/h1-9,11-16,18-23,27,39,42H,10,17,24-26,28H2,(H,44,45)
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n/an/a 260n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human cPLA2 alpha by GLU micelle assay


J Med Chem 50: 1380-400 (2007)


Article DOI: 10.1021/jm061131z
BindingDB Entry DOI: 10.7270/Q23F4PB9
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50581970
PNG
(CHEMBL5076481)
Show SMILES CCN1CCN(CCCn2cnc3c(nc(N)nc23)N2CCN(CC2)C2CCCC2)CC1
PDB

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n/an/a 280n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TLR9 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CpGB-induced NFkappaB activation measured after overnig...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00532
BindingDB Entry DOI: 10.7270/Q2Z89H9Q
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50581975
PNG
(CHEMBL5091450)
Show SMILES CCN1CCN(CCCn2cnc3c(nc(NC(=O)c4ccccc4)nc23)N2CCN(CC)CC2)CC1
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n/an/a 340n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TLR9 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CpGB-induced NFkappaB activation measured after overnig...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00532
BindingDB Entry DOI: 10.7270/Q2Z89H9Q
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50581974
PNG
(CHEMBL5089951)
Show SMILES CCN(CC)c1ccc(CNc2nc(N3CCN(CC)CC3)c3ncn(CCCN4CCN(CC)CC4)c3n2)cc1
PDB

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n/an/a 440n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TLR9 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CpGB-induced NFkappaB activation measured after overnig...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00532
BindingDB Entry DOI: 10.7270/Q2Z89H9Q
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50581973
PNG
(CHEMBL5088615)
Show SMILES CCN1CCN(CCCn2cnc3c(nc(NCc4ccc(F)cc4)nc23)N2CCN(CC)CC2)CC1
PDB

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n/an/a 470n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TLR9 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CpGB-induced NFkappaB activation measured after overnig...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00532
BindingDB Entry DOI: 10.7270/Q2Z89H9Q
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50581976
PNG
(CHEMBL5078099)
Show SMILES CCN1CCN(CCCn2cnc3c(nc(nc23)N2CCCC2)N2CCN(CC)CC2)CC1
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n/an/a 500n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TLR9 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CpGB-induced NFkappaB activation measured after overnig...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00532
BindingDB Entry DOI: 10.7270/Q2Z89H9Q
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50205539
PNG
(4-(2-(1-benzhydryl-5-chloro-2-(2-(2-phenylethylsul...)
Show SMILES OC(=O)c1ccc(OCCc2c(CCNS(=O)(=O)CCc3ccccc3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C40H37ClN2O5S/c41-33-18-21-37-36(28-33)35(23-26-48-34-19-16-32(17-20-34)40(44)45)38(22-25-42-49(46,47)27-24-29-10-4-1-5-11-29)43(37)39(30-12-6-2-7-13-30)31-14-8-3-9-15-31/h1-21,28,39,42H,22-27H2,(H,44,45)
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n/an/a 520n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human cPLA2 alpha by GLU micelle assay


J Med Chem 50: 1380-400 (2007)


Article DOI: 10.1021/jm061131z
BindingDB Entry DOI: 10.7270/Q23F4PB9
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50205511
PNG
(4-[2-(1-benzhydryl-2-{2-[(benzylsulfonyl)amino]eth...)
Show SMILES OC(=O)c1ccc(OCCc2c(CCNS(=O)(=O)Cc3ccccc3)n(C(c3ccccc3)c3ccccc3)c3ccc(cc23)N2CCOCC2)cc1
Show InChI InChI=1S/C43H43N3O6S/c47-43(48)35-16-19-37(20-17-35)52-27-23-38-39-30-36(45-25-28-51-29-26-45)18-21-40(39)46(42(33-12-6-2-7-13-33)34-14-8-3-9-15-34)41(38)22-24-44-53(49,50)31-32-10-4-1-5-11-32/h1-21,30,42,44H,22-29,31H2,(H,47,48)
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n/an/a 600n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human cPLA2 alpha by GLU micelle assay


J Med Chem 50: 1380-400 (2007)


Article DOI: 10.1021/jm061131z
BindingDB Entry DOI: 10.7270/Q23F4PB9
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50205517
PNG
(4-[2-[5-chloro-1-(diphenylmethyl)-2-{2-[(methylsul...)
Show SMILES CS(=O)(=O)NCCc1c(CCOc2ccc(cc2)C(O)=O)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H31ClN2O5S/c1-42(39,40)35-20-18-31-28(19-21-41-27-15-12-25(13-16-27)33(37)38)29-22-26(34)14-17-30(29)36(31)32(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-17,22,32,35H,18-21H2,1H3,(H,37,38)
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n/an/a 650n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human cPLA2 alpha by GLU micelle assay


J Med Chem 50: 1380-400 (2007)


Article DOI: 10.1021/jm061131z
BindingDB Entry DOI: 10.7270/Q23F4PB9
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50180081
PNG
(4-(2-(1-benzhydryl-5-chloro-2-methyl-1H-indol-3-yl...)
Show SMILES Cc1c(CCS(=O)(=O)c2ccc(cc2)C(O)=O)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H26ClNO4S/c1-21-27(18-19-38(36,37)26-15-12-24(13-16-26)31(34)35)28-20-25(32)14-17-29(28)33(21)30(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-17,20,30H,18-19H2,1H3,(H,34,35)
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n/an/a 800n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human cPLA2 alpha by GLU micelle assay


J Med Chem 50: 1380-400 (2007)


Article DOI: 10.1021/jm061131z
BindingDB Entry DOI: 10.7270/Q23F4PB9
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50581969
PNG
(CHEMBL5078399)
Show SMILES CCN1CCN(CC1)c1nc(NCc2ccc(F)cc2)nc2n(CCCN3CCCC3)cnc12
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n/an/a 1.19E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TLR7 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CL264-induced NFkappaB activation measured after overni...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00532
BindingDB Entry DOI: 10.7270/Q2Z89H9Q
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50527953
PNG
(CHEMBL4541672)
Show SMILES CCN1CCN(CCCn2cnc3c(ncnc23)N2CCN(CC)CC2)CC1
Show InChI InChI=1S/C20H34N8/c1-3-24-8-10-26(11-9-24)6-5-7-28-17-23-18-19(21-16-22-20(18)28)27-14-12-25(4-2)13-15-27/h16-17H,3-15H2,1-2H3
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n/an/a 1.19E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TLR9 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CpGB-induced NFkappaB activation measured after overnig...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00532
BindingDB Entry DOI: 10.7270/Q2Z89H9Q
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50205534
PNG
(4-{2-[1-benzhydryl-2-({[(benzyloxy)carbonyl]amino}...)
Show SMILES OC(=O)c1ccc(OCCc2c(CNC(=O)OCc3ccccc3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C39H33ClN2O5/c40-31-18-21-35-34(24-31)33(22-23-46-32-19-16-30(17-20-32)38(43)44)36(25-41-39(45)47-26-27-10-4-1-5-11-27)42(35)37(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-21,24,37H,22-23,25-26H2,(H,41,45)(H,43,44)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human cPLA2 alpha by GLU micelle assay


J Med Chem 50: 1380-400 (2007)


Article DOI: 10.1021/jm061131z
BindingDB Entry DOI: 10.7270/Q23F4PB9
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50205523
PNG
(4-{2-[2-(2-{[(benzyloxy)carbonyl]amino}ethyl)-5-ch...)
Show SMILES OC(=O)c1ccc(OCCc2c(CCNC(=O)OCc3ccccc3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C40H35ClN2O5/c41-32-18-21-36-35(26-32)34(23-25-47-33-19-16-31(17-20-33)39(44)45)37(22-24-42-40(46)48-27-28-10-4-1-5-11-28)43(36)38(29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-21,26,38H,22-25,27H2,(H,42,46)(H,44,45)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human cPLA2 alpha by GLU micelle assay


J Med Chem 50: 1380-400 (2007)


Article DOI: 10.1021/jm061131z
BindingDB Entry DOI: 10.7270/Q23F4PB9
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50205530
PNG
(4-{2-[1-benzhydryl-5-chloro-2-(hydroxymethyl)-1H-i...)
Show SMILES OCc1c(CCOc2ccc(cc2)C(O)=O)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H26ClNO4/c32-24-13-16-28-27(19-24)26(17-18-37-25-14-11-23(12-15-25)31(35)36)29(20-34)33(28)30(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-16,19,30,34H,17-18,20H2,(H,35,36)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human cPLA2 alpha by GLU micelle assay


J Med Chem 50: 1380-400 (2007)


Article DOI: 10.1021/jm061131z
BindingDB Entry DOI: 10.7270/Q23F4PB9
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50205520
PNG
(4-[2-(1-benzhydryl-2-{2-[(benzylsulfonyl)(methyl)a...)
Show SMILES CN(CCc1c(CCOc2ccc(cc2)C(O)=O)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C40H37ClN2O5S/c1-42(49(46,47)28-29-11-5-2-6-12-29)25-23-38-35(24-26-48-34-20-17-32(18-21-34)40(44)45)36-27-33(41)19-22-37(36)43(38)39(30-13-7-3-8-14-30)31-15-9-4-10-16-31/h2-22,27,39H,23-26,28H2,1H3,(H,44,45)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human cPLA2 alpha by GLU micelle assay


J Med Chem 50: 1380-400 (2007)


Article DOI: 10.1021/jm061131z
BindingDB Entry DOI: 10.7270/Q23F4PB9
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50581992
PNG
(CHEMBL5088130)
Show SMILES CCN1CCN(CC1)c1nc(NCc2ccc(OC)cc2)nc2n(CCCN3CCCC3)cnc12
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n/an/a 2.66E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TLR7 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CL264-induced NFkappaB activation measured after overni...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00532
BindingDB Entry DOI: 10.7270/Q2Z89H9Q
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50180057
PNG
(4-(2-(1-benzhydryl-2-methyl-1H-indol-3-yl)ethoxy)b...)
Show SMILES Cc1c(CCOc2ccc(cc2)C(O)=O)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H26ClNO3/c1-21-27(18-19-36-26-15-12-24(13-16-26)31(34)35)28-20-25(32)14-17-29(28)33(21)30(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-17,20,30H,18-19H2,1H3,(H,34,35)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human cPLA2 alpha by GLU micelle assay


J Med Chem 50: 1380-400 (2007)


Article DOI: 10.1021/jm061131z
BindingDB Entry DOI: 10.7270/Q23F4PB9
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50581974
PNG
(CHEMBL5089951)
Show SMILES CCN(CC)c1ccc(CNc2nc(N3CCN(CC)CC3)c3ncn(CCCN4CCN(CC)CC4)c3n2)cc1
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n/an/a 2.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TLR7 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CL264-induced NFkappaB activation measured after overni...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00532
BindingDB Entry DOI: 10.7270/Q2Z89H9Q
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50205518
PNG
(4-(2-(1-benzhydryl-5-chloro-2-(2-(phenylsulfonamid...)
Show SMILES OC(=O)c1ccc(OCCc2c(CCNS(=O)(=O)c3ccccc3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C38H33ClN2O5S/c39-30-18-21-35-34(26-30)33(23-25-46-31-19-16-29(17-20-31)38(42)43)36(22-24-40-47(44,45)32-14-8-3-9-15-32)41(35)37(27-10-4-1-5-11-27)28-12-6-2-7-13-28/h1-21,26,37,40H,22-25H2,(H,42,43)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human cPLA2 alpha by GLU micelle assay


J Med Chem 50: 1380-400 (2007)


Article DOI: 10.1021/jm061131z
BindingDB Entry DOI: 10.7270/Q23F4PB9
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50205541
PNG
(4-{2-[2-[3-(benzylsulfonyl)propyl]-5-chloro-1-(dip...)
Show SMILES OC(=O)c1ccc(OCCc2c(CCCS(=O)(=O)Cc3ccccc3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C40H36ClNO5S/c41-33-20-23-38-36(27-33)35(24-25-47-34-21-18-32(19-22-34)40(43)44)37(17-10-26-48(45,46)28-29-11-4-1-5-12-29)42(38)39(30-13-6-2-7-14-30)31-15-8-3-9-16-31/h1-9,11-16,18-23,27,39H,10,17,24-26,28H2,(H,43,44)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human cPLA2 alpha by GLU micelle assay


J Med Chem 50: 1380-400 (2007)


Article DOI: 10.1021/jm061131z
BindingDB Entry DOI: 10.7270/Q23F4PB9
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50581985
PNG
(CHEMBL5077767)
Show SMILES CCN(CC)c1ccc(CNc2nc(N3CCN(CC3)C(=O)c3ccccc3)c3ncn(CCCN4CCN(CC)CC4)c3n2)cc1
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n/an/a 3.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TLR9 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CpGB-induced NFkappaB activation measured after overnig...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00532
BindingDB Entry DOI: 10.7270/Q2Z89H9Q
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50205542
PNG
(4-[2-(1-benzhydryl-5-chloro-2-{2-[(2-phenylethyl)a...)
Show SMILES OC(=O)c1ccc(OCCc2c(CCNCCc3ccccc3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C40H37ClN2O3/c41-33-18-21-37-36(28-33)35(24-27-46-34-19-16-32(17-20-34)40(44)45)38(23-26-42-25-22-29-10-4-1-5-11-29)43(37)39(30-12-6-2-7-13-30)31-14-8-3-9-15-31/h1-21,28,39,42H,22-27H2,(H,44,45)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human cPLA2 alpha by GLU micelle assay


J Med Chem 50: 1380-400 (2007)


Article DOI: 10.1021/jm061131z
BindingDB Entry DOI: 10.7270/Q23F4PB9
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50205524
PNG
(4-[2-(1-benzhydryl-2-{[(benzylsulfonyl)amino]methy...)
Show SMILES OC(=O)c1ccc(OCCc2c(CNS(=O)(=O)Cc3ccccc3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C38H33ClN2O5S/c39-31-18-21-35-34(24-31)33(22-23-46-32-19-16-30(17-20-32)38(42)43)36(25-40-47(44,45)26-27-10-4-1-5-11-27)41(35)37(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-21,24,37,40H,22-23,25-26H2,(H,42,43)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human cPLA2 alpha by GLU micelle assay


J Med Chem 50: 1380-400 (2007)


Article DOI: 10.1021/jm061131z
BindingDB Entry DOI: 10.7270/Q23F4PB9
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50149408
PNG
(4-(2-Oxo-hexadecanoylamino)-butyric acid | 4-(2-ox...)
Show SMILES CCCCCCCCCCCCCCC(=O)C(=O)NCCCC(O)=O
Show InChI InChI=1S/C20H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(22)20(25)21-17-14-16-19(23)24/h2-17H2,1H3,(H,21,25)(H,23,24)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human cPLA2 alpha by GLU micelle assay


J Med Chem 50: 1380-400 (2007)


Article DOI: 10.1021/jm061131z
BindingDB Entry DOI: 10.7270/Q23F4PB9
More data for this
Ligand-Target Pair
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