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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Phospholipase A1 member A'   
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 A1 member A


(Rattus norvegicus)		BDBM50470665
PNG
(CHEMBL3143220)
Show SMILES C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@@H](CO)[C@@H](O)[C@H](N)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C24H46N6O13/c1-6(25)21(38)30-7(2)22(39)29-4-10-14(33)16(35)17(36)24(40-10)43-20-9(27)3-8(26)19(18(20)37)42-23-15(34)12(28)13(32)11(5-31)41-23/h6-20,23-24,31-37H,3-5,25-28H2,1-2H3,(H,29,39)(H,30,38)/t6-,7-,8+,9-,10+,11-,12-,13+,14+,15-,16+,17+,18-,19-,20+,23+,24+/m0/s1
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n/an/a 4.94E+4n/an/an/an/an/an/a



Agricultural University of Athens

Curated by ChEMBL


Assay Description
IC50 was measured as concentration causing 50% inhibition of lysosomal phospholipase A1 activity

J Med Chem 38: 4710-9 (1995)


Article DOI: 10.1021/jm00023a011
BindingDB Entry DOI: 10.7270/Q2WW7MD4
More data for this
Ligand-Target Pair
Phospholipase A1 member A


(Rattus norvegicus)		BDBM50470662
PNG
(CHEMBL357385)
Show SMILES CC(N)C(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O
Show InChI InChI=1S/C21H41N5O12/c1-5(22)19(34)26-3-8-12(29)14(31)15(32)21(35-8)38-18-7(24)2-6(23)17(16(18)33)37-20-13(30)10(25)11(28)9(4-27)36-20/h5-18,20-21,27-33H,2-4,22-25H2,1H3,(H,26,34)
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n/an/a 7.55E+4n/an/an/an/an/an/a



Agricultural University of Athens

Curated by ChEMBL


Assay Description
IC50 was measured as concentration causing 50% inhibition of lysosomal phospholipase A1 activity.

J Med Chem 38: 4710-9 (1995)


Article DOI: 10.1021/jm00023a011
BindingDB Entry DOI: 10.7270/Q2WW7MD4
More data for this
Ligand-Target Pair
Phospholipase A1 member A


(Rattus norvegicus)		BDBM50031282
PNG
(CHEBI:17630 | Kanamycin)
Show SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1
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n/an/a 8.04E+4n/an/an/an/an/an/a



Agricultural University of Athens

Curated by ChEMBL


Assay Description
IC50 was measured as concentration causing 50% inhibition of lysosomal phospholipase A1 activity.

J Med Chem 38: 4710-9 (1995)


Article DOI: 10.1021/jm00023a011
BindingDB Entry DOI: 10.7270/Q2WW7MD4
More data for this
Ligand-Target Pair
Phospholipase A1 member A


(Rattus norvegicus)		BDBM50470660
PNG
(CHEMBL142949)
Show SMILES CCNC1CC(N)C(OC2OC(CNC(=O)C(C)N)=CCC2N)C(O)C1OC1OCC(C)(O)C(NC)C1O |c:18|
Show InChI InChI=1S/C24H46N6O8/c1-5-29-15-8-14(27)18(37-22-13(26)7-6-12(36-22)9-30-21(33)11(2)25)16(31)19(15)38-23-17(32)20(28-4)24(3,34)10-35-23/h6,11,13-20,22-23,28-29,31-32,34H,5,7-10,25-27H2,1-4H3,(H,30,33)
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n/an/a 9.14E+4n/an/an/an/an/an/a



Agricultural University of Athens

Curated by ChEMBL


Assay Description
IC50 was measured as concentration causing 50% inhibition of lysosomal phospholipase A1 activity.

J Med Chem 38: 4710-9 (1995)


Article DOI: 10.1021/jm00023a011
BindingDB Entry DOI: 10.7270/Q2WW7MD4
More data for this
Ligand-Target Pair
Phospholipase A1 member A


(Rattus norvegicus)		BDBM50470660
PNG
(CHEMBL142949)
Show SMILES CCNC1CC(N)C(OC2OC(CNC(=O)C(C)N)=CCC2N)C(O)C1OC1OCC(C)(O)C(NC)C1O |c:18|
Show InChI InChI=1S/C24H46N6O8/c1-5-29-15-8-14(27)18(37-22-13(26)7-6-12(36-22)9-30-21(33)11(2)25)16(31)19(15)38-23-17(32)20(28-4)24(3,34)10-35-23/h6,11,13-20,22-23,28-29,31-32,34H,5,7-10,25-27H2,1-4H3,(H,30,33)
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n/an/a 9.14E+4n/an/an/an/an/an/a



Agricultural University of Athens

Curated by ChEMBL


Assay Description
IC50 was measured as concentration causing 50% inhibition of lysosomal phospholipase A1 activity.

J Med Chem 38: 4710-9 (1995)


Article DOI: 10.1021/jm00023a011
BindingDB Entry DOI: 10.7270/Q2WW7MD4
More data for this
Ligand-Target Pair
Phospholipase A1 member A


(Rattus norvegicus)		BDBM50366389
PNG
(GENTAMICIN)
Show SMILES CN[C@H](C)[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1 |r|
Show InChI InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3/t9-,10-,11+,12-,13+,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1
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n/an/a 9.42E+4n/an/an/an/an/an/a



Agricultural University of Athens

Curated by ChEMBL


Assay Description
IC50 was measured as concentration causing 50% inhibition of lysosomal phospholipase A1 activity.

J Med Chem 38: 4710-9 (1995)


Article DOI: 10.1021/jm00023a011
BindingDB Entry DOI: 10.7270/Q2WW7MD4
More data for this
Ligand-Target Pair
Phospholipase A1 member A


(Rattus norvegicus)		BDBM50470663
PNG
(CHEMBL3143222)
Show SMILES CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CNC(=O)[C@H](C)NC(=O)[C@H](C)N)=CC[C@H]2N)[C@@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@@H]1O |r,c:23|
Show InChI InChI=1S/C27H51N7O9/c1-6-32-17-9-16(30)20(18(35)21(17)43-26-19(36)22(31-5)27(4,39)11-40-26)42-25-15(29)8-7-14(41-25)10-33-24(38)13(3)34-23(37)12(2)28/h7,12-13,15-22,25-26,31-32,35-36,39H,6,8-11,28-30H2,1-5H3,(H,33,38)(H,34,37)/t12-,13-,15+,16-,17+,18+,19-,20+,21-,22+,25+,26+,27-/m0/s1
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n/an/a 1.01E+5n/an/an/an/an/an/a



Agricultural University of Athens

Curated by ChEMBL


Assay Description
IC50 was measured as concentration causing 50% inhibition of lysosomal phospholipase A1 activity

J Med Chem 38: 4710-9 (1995)


Article DOI: 10.1021/jm00023a011
BindingDB Entry DOI: 10.7270/Q2WW7MD4
More data for this
Ligand-Target Pair
Phospholipase A1 member A


(Rattus norvegicus)		BDBM50470664
PNG
(Netilmicin)
Show SMILES CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O |c:13|
Show InChI InChI=1S/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3/t11-,12+,13-,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1
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n/an/a 1.15E+5n/an/an/an/an/an/a



Agricultural University of Athens

Curated by ChEMBL


Assay Description
IC50 was measured as concentration causing 50% inhibition of lysosomal phospholipase A1 activity.

J Med Chem 38: 4710-9 (1995)


Article DOI: 10.1021/jm00023a011
BindingDB Entry DOI: 10.7270/Q2WW7MD4
More data for this
Ligand-Target Pair
Phospholipase A1 member A


(Rattus norvegicus)		BDBM50470666
PNG
(CHEMBL143885)
Show SMILES CCNC1CC(N)C(OC2OC(CNC(=O)CN)=CCC2N)C(O)C1OC1OCC(C)(O)C(NC)C1O |c:17|
Show InChI InChI=1S/C23H44N6O8/c1-4-28-14-7-13(26)18(36-21-12(25)6-5-11(35-21)9-29-15(30)8-24)16(31)19(14)37-22-17(32)20(27-3)23(2,33)10-34-22/h5,12-14,16-22,27-28,31-33H,4,6-10,24-26H2,1-3H3,(H,29,30)
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n/an/a 1.18E+5n/an/an/an/an/an/a



Agricultural University of Athens

Curated by ChEMBL


Assay Description
IC50 was measured as concentration causing 50% inhibition of lysosomal phospholipase A1 activity

J Med Chem 38: 4710-9 (1995)


Article DOI: 10.1021/jm00023a011
BindingDB Entry DOI: 10.7270/Q2WW7MD4
More data for this
Ligand-Target Pair
Phospholipase A1 member A


(Rattus norvegicus)		BDBM50470661
PNG
(CHEMBL356044)
Show SMILES CCNC1CC(N)C(OC2OC(CNC(=O)C(N)CC(O)=O)=CCC2N)C(O)C1OC1OCC(C)(O)C(NC)C1O |c:21|
Show InChI InChI=1S/C25H46N6O10/c1-4-30-15-7-13(27)19(17(34)20(15)41-24-18(35)21(29-3)25(2,37)10-38-24)40-23-12(26)6-5-11(39-23)9-31-22(36)14(28)8-16(32)33/h5,12-15,17-21,23-24,29-30,34-35,37H,4,6-10,26-28H2,1-3H3,(H,31,36)(H,32,33)
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n/an/a 1.32E+5n/an/an/an/an/an/a



Agricultural University of Athens

Curated by ChEMBL


Assay Description
IC50 was measured as concentration causing 50% inhibition of lysosomal phospholipase A1 activity

J Med Chem 38: 4710-9 (1995)


Article DOI: 10.1021/jm00023a011
BindingDB Entry DOI: 10.7270/Q2WW7MD4
More data for this
Ligand-Target Pair