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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Phospholipase A2' AND taxid = 40353   
Target
(Institution)
LigandTarget
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 A2


(Echis carinatus)
BDBM50169761
PNG
(2-(3-chlorobenzoyl)-4-methylphenyl 3-chlorobenzoat...)
Show SMILES Cc1ccc(OC(=O)c2cccc(Cl)c2)c(c1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H14Cl2O3/c1-13-8-9-19(26-21(25)15-5-3-7-17(23)12-15)18(10-13)20(24)14-4-2-6-16(22)11-14/h2-12H,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against phospholipase A2 of Echis carinatus venom


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2


(Echis carinatus)
BDBM50148911
PNG
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against phospholipase A2 of Echis carinatus venom


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2


(Echis carinatus)
BDBM50169755
PNG
(4-chloro-2-(2,3-dichlorobenzoyl)phenyl benzoate | ...)
Show SMILES Clc1ccc(OC(=O)c2ccccc2)c(c1)C(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C20H11Cl3O3/c21-13-9-10-17(26-20(25)12-5-2-1-3-6-12)15(11-13)19(24)14-7-4-8-16(22)18(14)23/h1-11H
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against phospholipase A2 of Echis carinatus venom


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2


(Echis carinatus)
BDBM50169757
PNG
(Benzoic acid 4-(2-methyl-benzoyl)-phenyl ester | C...)
Show SMILES Cc1ccc(cc1)C(=O)Oc1ccc(cc1C)C(=O)c1ccccc1C
Show InChI InChI=1S/C23H20O3/c1-15-8-10-18(11-9-15)23(25)26-21-13-12-19(14-17(21)3)22(24)20-7-5-4-6-16(20)2/h4-14H,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 8.70E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against phospholipase A2 of Echis carinatus venom


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2


(Echis carinatus)
BDBM50169758
PNG
(2-benzoyl-4-methylphenyl benzoate | Benzoic acid 2...)
Show SMILES Cc1ccc(OC(=O)c2ccccc2)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C21H16O3/c1-15-12-13-19(24-21(23)17-10-6-3-7-11-17)18(14-15)20(22)16-8-4-2-5-9-16/h2-14H,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 9.40E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against phospholipase A2 of Echis carinatus venom


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2


(Echis carinatus)
BDBM50169756
PNG
(4-Methyl-benzoic acid 4-methyl-2-(4-methyl-benzoyl...)
Show SMILES Cc1ccc(cc1)C(=O)Oc1ccc(C)cc1C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H20O3/c1-15-4-9-18(10-5-15)22(24)20-14-17(3)8-13-21(20)26-23(25)19-11-6-16(2)7-12-19/h4-14H,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 9.60E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against phospholipase A2 of Echis carinatus venom


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2


(Echis carinatus)
BDBM50169759
PNG
(2-Methyl-benzoic acid 4-methyl-2-(2-methyl-benzoyl...)
Show SMILES Cc1ccc(OC(=O)c2ccccc2C)c(c1)C(=O)c1ccccc1C
Show InChI InChI=1S/C23H20O3/c1-15-12-13-21(26-23(25)19-11-7-5-9-17(19)3)20(14-15)22(24)18-10-6-4-8-16(18)2/h4-14H,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.05E+5n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against phospholipase A2 of Echis carinatus venom


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2


(Echis carinatus)
BDBM50169760
PNG
(Benzoic acid 4-(2,3-dichloro-benzoyl)-2-methyl-phe...)
Show SMILES Cc1cc(ccc1OC(=O)c1ccccc1)C(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C21H14Cl2O3/c1-13-12-15(20(24)16-8-5-9-17(22)19(16)23)10-11-18(13)26-21(25)14-6-3-2-4-7-14/h2-12H,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 1.12E+5n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against phospholipase A2 of Echis carinatus venom


Citation and Details
More data for this
Ligand-Target Pair