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BDBM50529953 CHEMBL4438490

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

InChI Key: InChIKey=XSCZRVUQXBBTRO-MKNPRXRUSA-N

Data: 20 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50529953   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50529953
PNG
(CHEMBL4438490)
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 |r|
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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n/an/a 90n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PAPA as substrate assessed as reduction in 16:0 LPC formation after 30 mins by HPLC-MS...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
More data for this
Ligand-Target Pair
Calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50529953
PNG
(CHEMBL4438490)
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 |r|
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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n/an/a 1.23E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PAPC as substrate assessed as reduction in free [14C]-AA formation after 30 mins by sc...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
More data for this
Ligand-Target Pair
Calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50529953
PNG
(CHEMBL4438490)
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 |r|
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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n/an/a 90n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PAPA as substrate assessed as reduction in 16:0 LPC formation after 30 mins by HPLC-MS...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
More data for this
Ligand-Target Pair
Calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50529953
PNG
(CHEMBL4438490)
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 |r|
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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n/an/a 1.30E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PAPE as substrate assessed as assessed as reduction in free AA formation after 30 mins...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
More data for this
Ligand-Target Pair
Calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50529953
PNG
(CHEMBL4438490)
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 |r|
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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n/an/a 1.41E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PAPS as substrate assessed as reduction in 16:0 LPC formation after 30 mins in presenc...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50529953
PNG
(CHEMBL4438490)
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 |r|
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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n/an/a 1.58E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cPLA2 assessed as reduction in free FA formation after 30 mins by HPLC-MS analysis


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
More data for this
Ligand-Target Pair
Calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50529953
PNG
(CHEMBL4438490)
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 |r|
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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n/an/a 1.83E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PAPC as substrate assessed as reduction in 16:0 LPC formation after 30 mins by HPLC-MS...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
More data for this
Ligand-Target Pair
Calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50529953
PNG
(CHEMBL4438490)
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 |r|
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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n/an/a 1.39E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PLPC as substrate assessed as reduction in 16:0 LPC formation after 30 mins by HPLC-MS...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
More data for this
Ligand-Target Pair
Calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50529953
PNG
(CHEMBL4438490)
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 |r|
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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n/an/a 1.39E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PLPC as substrate assessed as reduction in 16:0 LPC formation after 30 mins by HPLC-MS...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
More data for this
Ligand-Target Pair
Calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50529953
PNG
(CHEMBL4438490)
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 |r|
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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n/an/a 1.52E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PAPE as substrate assessed as reduction in 16:0 LPC formation after 30 mins in presenc...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
More data for this
Ligand-Target Pair
Calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50529953
PNG
(CHEMBL4438490)
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 |r|
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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n/an/a 1.41E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PAPS as substrate assessed as reduction in 16:0 LPC formation after 30 mins in presenc...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50529953
PNG
(CHEMBL4438490)
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 |r|
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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n/an/a 1.59E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cPLA2 assessed as reduction in 16:0 LPC formation after 30 mins by HPLC-MS analysis


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50529953
PNG
(CHEMBL4438490)
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 |r|
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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n/an/a 1.58E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cPLA2 assessed as reduction in free FA formation after 30 mins by HPLC-MS analysis


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
More data for this
Ligand-Target Pair
Calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50529953
PNG
(CHEMBL4438490)
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 |r|
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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n/an/a 1.83E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PAPC as substrate assessed as reduction in 16:0 LPC formation after 30 mins by HPLC-MS...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
More data for this
Ligand-Target Pair
Calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50529953
PNG
(CHEMBL4438490)
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 |r|
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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n/an/a 1.88E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PAPC as substrate assessed as reduction in free AA formation after 30 mins by HPLC-MS ...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
More data for this
Ligand-Target Pair
Calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50529953
PNG
(CHEMBL4438490)
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 |r|
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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n/an/a 1.88E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PAPC as substrate assessed as reduction in free AA formation after 30 mins by HPLC-MS ...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
More data for this
Ligand-Target Pair
Calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50529953
PNG
(CHEMBL4438490)
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 |r|
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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n/an/a 1.30E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PAPE as substrate assessed as assessed as reduction in free AA formation after 30 mins...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
More data for this
Ligand-Target Pair
Calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50529953
PNG
(CHEMBL4438490)
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 |r|
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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n/an/a 1.23E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PAPC as substrate assessed as reduction in free [14C]-AA formation after 30 mins by sc...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50529953
PNG
(CHEMBL4438490)
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 |r|
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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n/an/a 1.59E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cPLA2 assessed as reduction in 16:0 LPC formation after 30 mins by HPLC-MS analysis


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
More data for this
Ligand-Target Pair
Calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50529953
PNG
(CHEMBL4438490)
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 |r|
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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UniChem
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n/an/a 1.52E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PAPE as substrate assessed as reduction in 16:0 LPC formation after 30 mins in presenc...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
More data for this
Ligand-Target Pair