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Compile Data Set for Download or QSAR

Found 23 hits of ic50 data for polymerid = 50007425   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Basic phospholipase A2 VRV-PL-VIIIa


(Daboia russelii)
BDBM50269103
PNG
(CHEMBL4070295)
Show SMILES Clc1ccc(cc1)C1=NN(C(C1)c1cccc(Cl)c1Cl)c1ccccc1
Show InChI InChI=1S/C21H15Cl3N2/c22-15-11-9-14(10-12-15)19-13-20(17-7-4-8-18(23)21(17)24)26(25-19)16-5-2-1-3-6-16/h1-12,20H,13H2
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n/an/a 1.02E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of Vipera russelii venom sPLA2 using DMPC as substrate preincubated for 2 mins followed by substrate addition measured after 30 mins


Bioorg Med Chem Lett 27: 3806-3811 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.063
BindingDB Entry DOI: 10.7270/Q2W37ZTQ
More data for this
Ligand-Target Pair
Basic phospholipase A2 VRV-PL-VIIIa


(Daboia russelii)
BDBM50243030
PNG
(CHEMBL4087976)
Show SMILES COc1ccc(cc1)C1CC(=Nc2ccccc2S1)c1ccco1
Show InChI InChI=1S/C20H17NO2S/c1-22-15-10-8-14(9-11-15)20-13-17(18-6-4-12-23-18)21-16-5-2-3-7-19(16)24-20/h2-12,20H,13H2,1H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of Vipera russelii sPLA2 pre-incubated for 5 mins before DMPC substrate addition and measured after 45 mins


Bioorg Med Chem Lett 27: 3048-3054 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.059
BindingDB Entry DOI: 10.7270/Q26Q20PF
More data for this
Ligand-Target Pair
Basic phospholipase A2 VRV-PL-VIIIa


(Daboia russelii)
BDBM50269094
PNG
(CHEMBL4080932)
Show SMILES Fc1ccc(cc1)C1=NN(C(C1)c1cccc(Cl)c1Cl)c1ccccc1
Show InChI InChI=1S/C21H15Cl2FN2/c22-18-8-4-7-17(21(18)23)20-13-19(14-9-11-15(24)12-10-14)25-26(20)16-5-2-1-3-6-16/h1-12,20H,13H2
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n/an/a 1.11E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of Vipera russelii venom sPLA2 using DMPC as substrate preincubated for 2 mins followed by substrate addition measured after 30 mins


Bioorg Med Chem Lett 27: 3806-3811 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.063
BindingDB Entry DOI: 10.7270/Q2W37ZTQ
More data for this
Ligand-Target Pair
Basic phospholipase A2 VRV-PL-VIIIa


(Daboia russelii)
BDBM50269106
PNG
(CHEMBL4095047)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1cccc(Cl)c1Cl)c1ccccc1
Show InChI InChI=1S/C22H18Cl2N2O/c1-27-17-12-10-15(11-13-17)20-14-21(18-8-5-9-19(23)22(18)24)26(25-20)16-6-3-2-4-7-16/h2-13,21H,14H2,1H3
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n/an/a 1.19E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of Vipera russelii venom sPLA2 using DMPC as substrate preincubated for 2 mins followed by substrate addition measured after 30 mins


Bioorg Med Chem Lett 27: 3806-3811 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.063
BindingDB Entry DOI: 10.7270/Q2W37ZTQ
More data for this
Ligand-Target Pair
Basic phospholipase A2 VRV-PL-VIIIa


(Daboia russelii)
BDBM50269092
PNG
(CHEMBL4088814)
Show SMILES Clc1cccc(C2CC(=NN2c2ccccc2)c2ccccc2)c1Cl
Show InChI InChI=1S/C21H16Cl2N2/c22-18-13-7-12-17(21(18)23)20-14-19(15-8-3-1-4-9-15)24-25(20)16-10-5-2-6-11-16/h1-13,20H,14H2
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of Vipera russelii venom sPLA2 using DMPC as substrate preincubated for 2 mins followed by substrate addition measured after 30 mins


Bioorg Med Chem Lett 27: 3806-3811 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.063
BindingDB Entry DOI: 10.7270/Q2W37ZTQ
More data for this
Ligand-Target Pair
Basic phospholipase A2 VRV-PL-VIIIa


(Daboia russelii)
BDBM50243033
PNG
(CHEMBL4092288)
Show SMILES C1C(Sc2ccccc2N=C1c1ccco1)c1ccccc1
Show InChI InChI=1S/C19H15NOS/c1-2-7-14(8-3-1)19-13-16(17-10-6-12-21-17)20-15-9-4-5-11-18(15)22-19/h1-12,19H,13H2
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of Vipera russelii sPLA2 pre-incubated for 5 mins before DMPC substrate addition and measured after 45 mins


Bioorg Med Chem Lett 27: 3048-3054 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.059
BindingDB Entry DOI: 10.7270/Q26Q20PF
More data for this
Ligand-Target Pair
Basic phospholipase A2 VRV-PL-VIIIa


(Daboia russelii)
BDBM50269104
PNG
(CHEMBL4089745)
Show SMILES Clc1ccc(cc1)C1=NN(C(C1)c1cccc(Cl)c1Cl)c1cccc(Cl)c1
Show InChI InChI=1S/C21H14Cl4N2/c22-14-9-7-13(8-10-14)19-12-20(17-5-2-6-18(24)21(17)25)27(26-19)16-4-1-3-15(23)11-16/h1-11,20H,12H2
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n/an/a 1.46E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of Vipera russelii venom sPLA2 using DMPC as substrate preincubated for 2 mins followed by substrate addition measured after 30 mins


Bioorg Med Chem Lett 27: 3806-3811 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.063
BindingDB Entry DOI: 10.7270/Q2W37ZTQ
More data for this
Ligand-Target Pair
Basic phospholipase A2 VRV-PL-VIIIa


(Daboia russelii)
BDBM50269102
PNG
(CHEMBL4097473)
Show SMILES Fc1ccc(cc1)C1=NN(C(C1)c1cccc(Cl)c1Cl)c1cccc(Cl)c1
Show InChI InChI=1S/C21H14Cl3FN2/c22-14-3-1-4-16(11-14)27-20(17-5-2-6-18(23)21(17)24)12-19(26-27)13-7-9-15(25)10-8-13/h1-11,20H,12H2
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n/an/a 1.92E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of Vipera russelii venom sPLA2 using DMPC as substrate preincubated for 2 mins followed by substrate addition measured after 30 mins


Bioorg Med Chem Lett 27: 3806-3811 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.063
BindingDB Entry DOI: 10.7270/Q2W37ZTQ
More data for this
Ligand-Target Pair
Basic phospholipase A2 VRV-PL-VIIIa


(Daboia russelii)
BDBM50269093
PNG
(CHEMBL4105178)
Show SMILES Clc1cccc(c1)N1N=C(CC1c1cccc(Cl)c1Cl)c1ccccc1
Show InChI InChI=1S/C21H15Cl3N2/c22-15-8-4-9-16(12-15)26-20(17-10-5-11-18(23)21(17)24)13-19(25-26)14-6-2-1-3-7-14/h1-12,20H,13H2
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n/an/a 1.93E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of Vipera russelii venom sPLA2 using DMPC as substrate preincubated for 2 mins followed by substrate addition measured after 30 mins


Bioorg Med Chem Lett 27: 3806-3811 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.063
BindingDB Entry DOI: 10.7270/Q2W37ZTQ
More data for this
Ligand-Target Pair
Basic phospholipase A2 VRV-PL-VIIIa


(Daboia russelii)
BDBM50243036
PNG
(CHEMBL4071495)
Show SMILES Clc1ccc(cc1)C1CC(=Nc2ccccc2S1)c1ccco1
Show InChI InChI=1S/C19H14ClNOS/c20-14-9-7-13(8-10-14)19-12-16(17-5-3-11-22-17)21-15-4-1-2-6-18(15)23-19/h1-11,19H,12H2
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n/an/a 1.93E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of Vipera russelii sPLA2 pre-incubated for 5 mins before DMPC substrate addition and measured after 45 mins


Bioorg Med Chem Lett 27: 3048-3054 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.059
BindingDB Entry DOI: 10.7270/Q26Q20PF
More data for this
Ligand-Target Pair
Basic phospholipase A2 VRV-PL-VIIIa


(Daboia russelii)
BDBM50243030
PNG
(CHEMBL4087976)
Show SMILES COc1ccc(cc1)C1CC(=Nc2ccccc2S1)c1ccco1
Show InChI InChI=1S/C20H17NO2S/c1-22-15-10-8-14(9-11-15)20-13-17(18-6-4-12-23-18)21-16-5-2-3-7-19(16)24-20/h2-12,20H,13H2,1H3
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n/an/a 2.13E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of Vipera russelii venom sPLA2-induced hemolytic activity in human erythrocytes assessed as reduction hemoglobin release in presence of eg...


Bioorg Med Chem Lett 27: 3048-3054 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.059
BindingDB Entry DOI: 10.7270/Q26Q20PF
More data for this
Ligand-Target Pair
Basic phospholipase A2 VRV-PL-VIIIa


(Daboia russelii)
BDBM50269105
PNG
(CHEMBL4061627)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1cccc(Cl)c1Cl)c1ccccc1
Show InChI InChI=1S/C22H18Cl2N2/c1-15-10-12-16(13-11-15)20-14-21(18-8-5-9-19(23)22(18)24)26(25-20)17-6-3-2-4-7-17/h2-13,21H,14H2,1H3
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n/an/a 2.17E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of Vipera russelii venom sPLA2 using DMPC as substrate preincubated for 2 mins followed by substrate addition measured after 30 mins


Bioorg Med Chem Lett 27: 3806-3811 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.063
BindingDB Entry DOI: 10.7270/Q2W37ZTQ
More data for this
Ligand-Target Pair
Basic phospholipase A2 VRV-PL-VIIIa


(Daboia russelii)
BDBM50242996
PNG
(CHEMBL4062876)
Show SMILES Brc1ccc(cc1)C1CC(=Nc2ccccc2S1)c1ccco1
Show InChI InChI=1S/C19H14BrNOS/c20-14-9-7-13(8-10-14)19-12-16(17-5-3-11-22-17)21-15-4-1-2-6-18(15)23-19/h1-11,19H,12H2
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n/an/a 2.41E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of Vipera russelii sPLA2 pre-incubated for 5 mins before DMPC substrate addition and measured after 45 mins


Bioorg Med Chem Lett 27: 3048-3054 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.059
BindingDB Entry DOI: 10.7270/Q26Q20PF
More data for this
Ligand-Target Pair
Basic phospholipase A2 VRV-PL-VIIIa


(Daboia russelii)
BDBM50243031
PNG
(CHEMBL4064024)
Show SMILES C1Oc2ccc(cc2O1)C1CC(=Nc2ccccc2S1)c1ccco1
Show InChI InChI=1S/C20H15NO3S/c1-2-6-19-14(4-1)21-15(16-5-3-9-22-16)11-20(25-19)13-7-8-17-18(10-13)24-12-23-17/h1-10,20H,11-12H2
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n/an/a 2.51E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of Vipera russelii sPLA2 pre-incubated for 5 mins before DMPC substrate addition and measured after 45 mins


Bioorg Med Chem Lett 27: 3048-3054 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.059
BindingDB Entry DOI: 10.7270/Q26Q20PF
More data for this
Ligand-Target Pair
Basic phospholipase A2 VRV-PL-VIIIa


(Daboia russelii)
BDBM50243035
PNG
(CHEMBL1570896)
Show SMILES Fc1ccc(cc1)C1CC(=Nc2ccccc2S1)c1ccco1
Show InChI InChI=1S/C19H14FNOS/c20-14-9-7-13(8-10-14)19-12-16(17-5-3-11-22-17)21-15-4-1-2-6-18(15)23-19/h1-11,19H,12H2
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n/an/a 2.52E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of Vipera russelii sPLA2 pre-incubated for 5 mins before DMPC substrate addition and measured after 45 mins


Bioorg Med Chem Lett 27: 3048-3054 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.059
BindingDB Entry DOI: 10.7270/Q26Q20PF
More data for this
Ligand-Target Pair
Basic phospholipase A2 VRV-PL-VIIIa


(Daboia russelii)
BDBM50269107
PNG
(CHEMBL4074584)
Show SMILES COc1cccc(c1)C1=NN(C(C1)c1cccc(Cl)c1Cl)c1ccccc1
Show InChI InChI=1S/C22H18Cl2N2O/c1-27-17-10-5-7-15(13-17)20-14-21(18-11-6-12-19(23)22(18)24)26(25-20)16-8-3-2-4-9-16/h2-13,21H,14H2,1H3
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n/an/a 2.98E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of Vipera russelii venom sPLA2 using DMPC as substrate preincubated for 2 mins followed by substrate addition measured after 30 mins


Bioorg Med Chem Lett 27: 3806-3811 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.063
BindingDB Entry DOI: 10.7270/Q2W37ZTQ
More data for this
Ligand-Target Pair
Basic phospholipase A2 VRV-PL-VIIIa


(Daboia russelii)
BDBM50269108
PNG
(CHEMBL4102805)
Show SMILES COc1cccc(c1)C1=NN(C(C1)c1cccc(Cl)c1Cl)c1cccc(Cl)c1
Show InChI InChI=1S/C22H17Cl3N2O/c1-28-17-8-2-5-14(11-17)20-13-21(18-9-4-10-19(24)22(18)25)27(26-20)16-7-3-6-15(23)12-16/h2-12,21H,13H2,1H3
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n/an/a 3.01E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of Vipera russelii venom sPLA2 using DMPC as substrate preincubated for 2 mins followed by substrate addition measured after 30 mins


Bioorg Med Chem Lett 27: 3806-3811 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.063
BindingDB Entry DOI: 10.7270/Q2W37ZTQ
More data for this
Ligand-Target Pair
Basic phospholipase A2 VRV-PL-VIIIa


(Daboia russelii)
BDBM50269109
PNG
(CHEMBL4084853)
Show SMILES COc1ccccc1C1=NN(C(C1)c1cccc(Cl)c1Cl)c1ccccc1
Show InChI InChI=1S/C22H18Cl2N2O/c1-27-21-13-6-5-10-16(21)19-14-20(17-11-7-12-18(23)22(17)24)26(25-19)15-8-3-2-4-9-15/h2-13,20H,14H2,1H3
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n/an/a 3.03E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of Vipera russelii venom sPLA2 using DMPC as substrate preincubated for 2 mins followed by substrate addition measured after 30 mins


Bioorg Med Chem Lett 27: 3806-3811 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.063
BindingDB Entry DOI: 10.7270/Q2W37ZTQ
More data for this
Ligand-Target Pair
Basic phospholipase A2 VRV-PL-VIIIa


(Daboia russelii)
BDBM50269095
PNG
(CHEMBL4079484)
Show SMILES COc1ccccc1C1=NN(C(C1)c1cccc(Cl)c1Cl)c1cccc(Cl)c1
Show InChI InChI=1S/C22H17Cl3N2O/c1-28-21-11-3-2-8-16(21)19-13-20(17-9-5-10-18(24)22(17)25)27(26-19)15-7-4-6-14(23)12-15/h2-12,20H,13H2,1H3
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n/an/a 3.51E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of Vipera russelii venom sPLA2 using DMPC as substrate preincubated for 2 mins followed by substrate addition measured after 30 mins


Bioorg Med Chem Lett 27: 3806-3811 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.063
BindingDB Entry DOI: 10.7270/Q2W37ZTQ
More data for this
Ligand-Target Pair
Basic phospholipase A2 VRV-PL-VIIIa


(Daboia russelii)
BDBM50243032
PNG
(CHEMBL4102457)
Show SMILES COc1cc(ccc1O)C1CC(=Nc2ccccc2S1)c1ccco1
Show InChI InChI=1S/C20H17NO3S/c1-23-18-11-13(8-9-16(18)22)20-12-15(17-6-4-10-24-17)21-14-5-2-3-7-19(14)25-20/h2-11,20,22H,12H2,1H3
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n/an/a 4.34E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of Vipera russelii sPLA2 pre-incubated for 5 mins before DMPC substrate addition and measured after 45 mins


Bioorg Med Chem Lett 27: 3048-3054 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.059
BindingDB Entry DOI: 10.7270/Q26Q20PF
More data for this
Ligand-Target Pair
Basic phospholipase A2 VRV-PL-VIIIa


(Daboia russelii)
BDBM50269101
PNG
(CHEMBL4103730)
Show SMILES Clc1cccc(C2CC(=NN2c2ccccc2)c2ccc3OCOc3c2)c1Cl
Show InChI InChI=1S/C22H16Cl2N2O2/c23-17-8-4-7-16(22(17)24)19-12-18(25-26(19)15-5-2-1-3-6-15)14-9-10-20-21(11-14)28-13-27-20/h1-11,19H,12-13H2
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n/an/a 4.82E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of Vipera russelii venom sPLA2 using DMPC as substrate preincubated for 2 mins followed by substrate addition measured after 30 mins


Bioorg Med Chem Lett 27: 3806-3811 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.063
BindingDB Entry DOI: 10.7270/Q2W37ZTQ
More data for this
Ligand-Target Pair
Basic phospholipase A2 VRV-PL-VIIIa


(Daboia russelii)
BDBM50269115
PNG
(CHEMBL4087360)
Show SMILES Clc1cccc(c1)N1N=C(CC1c1cccc(Cl)c1Cl)c1ccc2OCOc2c1
Show InChI InChI=1S/C22H15Cl3N2O2/c23-14-3-1-4-15(10-14)27-19(16-5-2-6-17(24)22(16)25)11-18(26-27)13-7-8-20-21(9-13)29-12-28-20/h1-10,19H,11-12H2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.98E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of Vipera russelii venom sPLA2 using DMPC as substrate preincubated for 2 mins followed by substrate addition measured after 30 mins


Bioorg Med Chem Lett 27: 3806-3811 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.063
BindingDB Entry DOI: 10.7270/Q2W37ZTQ
More data for this
Ligand-Target Pair
Basic phospholipase A2 VRV-PL-VIIIa


(Daboia russelii)
BDBM50243037
PNG
(CHEMBL4066680)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1CC(=Nc2ccccc2S1)c1ccco1
Show InChI InChI=1S/C19H14N2O3S/c22-21(23)14-9-7-13(8-10-14)19-12-16(17-5-3-11-24-17)20-15-4-1-2-6-18(15)25-19/h1-11,19H,12H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.69E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of Vipera russelii sPLA2 pre-incubated for 5 mins before DMPC substrate addition and measured after 45 mins


Bioorg Med Chem Lett 27: 3048-3054 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.059
BindingDB Entry DOI: 10.7270/Q26Q20PF
More data for this
Ligand-Target Pair