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Compile Data Set for Download or QSAR

Found 80 hits Enz. Inhib. hit(s) with Target = 'Lysosomal phospholipase A1'   
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
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50228403
PNG
((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1
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PubMed
n/an/a 71n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FAP (unknown origin) preincubated for 20 mins followed by Nle-Pro-AMC addition measured for 40 mins by continuous fluorescence assay


ACS Med Chem Lett 7: 498-501 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50170923
PNG
(CHEMBL3806041)
Show SMILES N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2cnc3nnc(C4CC4)n3c2C1
Show InChI InChI=1/C22H23F3N6/c23-16-7-18(25)17(24)6-15(16)14-4-3-13(5-19(14)26)30-9-12-8-27-22-29-28-21(11-1-2-11)31(22)20(12)10-30/h6-8,11,13-14,19H,1-5,9-10,26H2/t13-,14+,19-/s2
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n/an/a 280n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 26: 2622-6 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50170921
PNG
(CHEMBL3806023)
Show SMILES Cc1nnc2ncc3CN(Cc3n12)[C@H]1CC[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F
Show InChI InChI=1/C20H21F3N6/c1-10-26-27-20-25-7-11-8-28(9-19(11)29(10)20)12-2-3-13(18(24)4-12)14-5-16(22)17(23)6-15(14)21/h5-7,12-13,18H,2-4,8-9,24H2,1H3/t12-,13+,18-/s2
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n/an/a 280n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 26: 2622-6 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50170922
PNG
(CHEMBL3805629)
Show SMILES Cc1nc2ncc3CN(Cc3n2n1)[C@H]1CC[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F
Show InChI InChI=1/C20H21F3N6/c1-10-26-20-25-7-11-8-28(9-19(11)29(20)27-10)12-2-3-13(18(24)4-12)14-5-16(22)17(23)6-15(14)21/h5-7,12-13,18H,2-4,8-9,24H2,1H3/t12-,13+,18-/s2
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n/an/a 450n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 26: 2622-6 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50170924
PNG
(CHEMBL3805346)
Show SMILES N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2cnc3nc(nn3c2C1)C1CC1
Show InChI InChI=1/C22H23F3N6/c23-16-7-18(25)17(24)6-15(16)14-4-3-13(5-19(14)26)30-9-12-8-27-22-28-21(11-1-2-11)29-31(22)20(12)10-30/h6-8,11,13-14,19H,1-5,9-10,26H2/t13-,14+,19-/s2
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n/an/a 570n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 26: 2622-6 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50170952
PNG
(CHEMBL3806310)
Show SMILES Cc1cc(O)nc2c3CN(Cc3nn12)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F
Show InChI InChI=1/C20H20F3N5O2/c1-9-2-18(29)25-20-12-6-27(7-17(12)26-28(9)20)10-3-16(24)19(30-8-10)11-4-14(22)15(23)5-13(11)21/h2,4-5,10,16,19H,3,6-8,24H2,1H3,(H,25,29)/t10-,16+,19-/s2
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n/an/a 1.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 26: 2622-6 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50170928
PNG
(CHEMBL3806239)
Show SMILES Cc1ccn2nc3CN(Cc3c2n1)[C@H]1CC[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F
Show InChI InChI=1/C21H22F3N5/c1-11-4-5-29-21(26-11)15-9-28(10-20(15)27-29)12-2-3-13(19(25)6-12)14-7-17(23)18(24)8-16(14)22/h4-5,7-8,12-13,19H,2-3,6,9-10,25H2,1H3/t12-,13+,19-/s2
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n/an/a 1.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 26: 2622-6 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50170933
PNG
(CHEMBL3804994)
Show SMILES Cc1ccnc2c3CN(Cc3nn12)[C@H]1CC[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F
Show InChI InChI=1/C21H22F3N5/c1-11-4-5-26-21-15-9-28(10-20(15)27-29(11)21)12-2-3-13(19(25)6-12)14-7-17(23)18(24)8-16(14)22/h4-5,7-8,12-13,19H,2-3,6,9-10,25H2,1H3/t12-,13+,19-/s2
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n/an/a 2.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 26: 2622-6 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50170925
PNG
(CHEMBL3806026)
Show SMILES N[C@H]1C[C@H](CC[C@@H]1c1cc(F)ccc1F)N1Cc2nn3cccnc3c2C1
Show InChI InChI=1/C20H21F2N5/c21-12-2-5-17(22)15(8-12)14-4-3-13(9-18(14)23)26-10-16-19(11-26)25-27-7-1-6-24-20(16)27/h1-2,5-8,13-14,18H,3-4,9-11,23H2/t13-,14+,18-/s2
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n/an/a 3.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 26: 2622-6 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50170919
PNG
(CHEMBL3805966)
Show SMILES Cc1cc2ncc3CN(Cc3n2n1)[C@H]1CC[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F
Show InChI InChI=1/C21H22F3N5/c1-11-4-21-26-8-12-9-28(10-20(12)29(21)27-11)13-2-3-14(19(25)5-13)15-6-17(23)18(24)7-16(15)22/h4,6-8,13-14,19H,2-3,5,9-10,25H2,1H3/t13-,14+,19-/s2
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n/an/a 4.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 26: 2622-6 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50170931
PNG
(CHEMBL3805871)
Show SMILES N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2nn3ccc(nc3c2C1)C(F)(F)F
Show InChI InChI=1/C21H19F6N5/c22-14-7-16(24)15(23)6-12(14)11-2-1-10(5-17(11)28)31-8-13-18(9-31)30-32-4-3-19(21(25,26)27)29-20(13)32/h3-4,6-7,10-11,17H,1-2,5,8-9,28H2/t10-,11+,17-/s2
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n/an/a 4.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 26: 2622-6 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50170936
PNG
(CHEMBL3805179)
Show SMILES N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2nn3c(ccnc3c2C1)C(F)(F)F
Show InChI InChI=1/C21H19F6N5/c22-14-7-16(24)15(23)6-12(14)11-2-1-10(5-17(11)28)31-8-13-18(9-31)30-32-19(21(25,26)27)3-4-29-20(13)32/h3-4,6-7,10-11,17H,1-2,5,8-9,28H2/t10-,11+,17-/s2
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n/an/a 6.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 26: 2622-6 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50170955
PNG
(CHEMBL3805937)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)c(F)cc1F)N1Cc2nn3c(ccnc3c2C1)C(F)(F)F
Show InChI InChI=1/C20H17F6N5O/c21-12-5-14(23)13(22)4-10(12)18-15(27)3-9(8-32-18)30-6-11-16(7-30)29-31-17(20(24,25)26)1-2-28-19(11)31/h1-2,4-5,9,15,18H,3,6-8,27H2/t9-,15+,18-/s2
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n/an/a 7.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 26: 2622-6 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50177780
PNG
(CHEMBL3813856)
Show SMILES CCN1C(=O)Cn2c1nc1nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C#N)c1c2=O
Show InChI InChI=1/C22H23FN8O2/c1-2-29-17(32)12-31-20(33)18-19(27-22(29)31)26-21(28-7-3-4-16(25)11-28)30(18)10-14-8-15(23)6-5-13(14)9-24/h5-6,8,16H,2-4,7,10-12,25H2,1H3/t16-/s2
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n/an/a 7.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FAP (unknown origin) preincubated for 20 mins followed by Nle-Pro-AMC addition measured for 40 mins by continuous fluorescence assay


ACS Med Chem Lett 7: 498-501 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50170920
PNG
(CHEMBL3806029)
Show SMILES Cc1cc2ncc3CN(Cc3n2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F
Show InChI InChI=1/C20H20F3N5O/c1-10-2-19-25-6-11-7-27(8-18(11)28(19)26-10)12-3-17(24)20(29-9-12)13-4-15(22)16(23)5-14(13)21/h2,4-6,12,17,20H,3,7-9,24H2,1H3/t12-,17+,20-/s2
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n/an/a 7.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 26: 2622-6 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50170934
PNG
(CHEMBL3806021)
Show SMILES Cc1ccnc2c3CN(Cc3nn12)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F
Show InChI InChI=1/C20H20F3N5O/c1-10-2-3-25-20-13-7-27(8-18(13)26-28(10)20)11-4-17(24)19(29-9-11)12-5-15(22)16(23)6-14(12)21/h2-3,5-6,11,17,19H,4,7-9,24H2,1H3/t11-,17+,19-/s2
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n/an/a 9.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 26: 2622-6 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50170954
PNG
(CHEMBL3804996)
Show SMILES Cc1cc(nc2c3CN(Cc3nn12)[C@H]1CC[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F)C(F)(F)F
Show InChI InChI=1/C22H21F6N5/c1-10-4-20(22(26,27)28)30-21-14-8-32(9-19(14)31-33(10)21)11-2-3-12(18(29)5-11)13-6-16(24)17(25)7-15(13)23/h4,6-7,11-12,18H,2-3,5,8-9,29H2,1H3/t11-,12+,18-/s2
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 26: 2622-6 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50170960
PNG
(CHEMBL3804940)
Show SMILES Cc1ccn2nc3CN(Cc3c2n1)[C@@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F
Show InChI InChI=1/C20H20F3N5O/c1-10-2-3-28-20(25-10)13-7-27(8-18(13)26-28)11-4-17(24)19(29-9-11)12-5-15(22)16(23)6-14(12)21/h2-3,5-6,11,17,19H,4,7-9,24H2,1H3/t11-,17-,19+/s2
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 26: 2622-6 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50170938
PNG
(CHEMBL3806164)
Show SMILES N[C@H]1C[C@@H](CC[C@@H]1c1cc(F)ccc1F)N1Cc2nn3cccnc3c2C1
Show InChI InChI=1/C20H21F2N5/c21-12-2-5-17(22)15(8-12)14-4-3-13(9-18(14)23)26-10-16-19(11-26)25-27-7-1-6-24-20(16)27/h1-2,5-8,13-14,18H,3-4,9-11,23H2/t13-,14-,18+/s2
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n/an/a 1.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 26: 2622-6 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50170926
PNG
(CHEMBL3806003)
Show SMILES N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2nn3cccnc3c2C1
Show InChI InChI=1/C20H20F3N5/c21-15-8-17(23)16(22)7-13(15)12-3-2-11(6-18(12)24)27-9-14-19(10-27)26-28-5-1-4-25-20(14)28/h1,4-5,7-8,11-12,18H,2-3,6,9-10,24H2/t11-,12+,18-/s2
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n/an/a 1.60E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 26: 2622-6 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM60417
PNG
(US9051329, Example 1)
Show SMILES CN1C(=O)Cn2c1nc1nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C#N)c1c2=O
Show InChI InChI=1/C21H21FN8O2/c1-27-16(31)11-30-19(32)17-18(25-20(27)30)26-21(28-6-2-3-15(24)10-28)29(17)9-13-7-14(22)5-4-12(13)8-23/h4-5,7,15H,2-3,6,9-11,24H2,1H3/t15-/s2
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n/an/a 1.63E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FAP (unknown origin) preincubated for 20 mins followed by Nle-Pro-AMC addition measured for 40 mins by continuous fluorescence assay


ACS Med Chem Lett 7: 498-501 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50170957
PNG
(CHEMBL3806157)
Show SMILES Cc1cc2ncc3CN(Cc3n2n1)[C@H]1CC[C@@H]([C@@H](N)C1)c1cc(F)ccc1F
Show InChI InChI=1/C21H23F2N5/c1-12-6-21-25-9-13-10-27(11-20(13)28(21)26-12)15-3-4-16(19(24)8-15)17-7-14(22)2-5-18(17)23/h2,5-7,9,15-16,19H,3-4,8,10-11,24H2,1H3/t15-,16+,19-/s2
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n/an/a 1.80E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 26: 2622-6 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50170929
PNG
(CHEMBL3805751)
Show SMILES Cc1ccn2nc3CN(Cc3c2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F
Show InChI InChI=1/C20H20F3N5O/c1-10-2-3-28-20(25-10)13-7-27(8-18(13)26-28)11-4-17(24)19(29-9-11)12-5-15(22)16(23)6-14(12)21/h2-3,5-6,11,17,19H,4,7-9,24H2,1H3/t11-,17+,19-/s2
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n/an/a 1.80E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 26: 2622-6 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50170932
PNG
(CHEMBL3805502)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)c(F)cc1F)N1Cc2nn3ccc(nc3c2C1)C(F)(F)F
Show InChI InChI=1/C20H17F6N5O/c21-12-5-14(23)13(22)4-10(12)18-15(27)3-9(8-32-18)30-6-11-16(7-30)29-31-2-1-17(20(24,25)26)28-19(11)31/h1-2,4-5,9,15,18H,3,6-8,27H2/t9-,15+,18-/s2
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n/an/a 2.30E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 26: 2622-6 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50170958
PNG
(CHEMBL3804982)
Show SMILES Cc1cc2nc3CN(Cc3cn2n1)[C@@H]1CC[C@@H]([C@@H](N)C1)c1cc(F)ccc1F
Show InChI InChI=1/C21H23F2N5/c1-12-6-21-25-20-11-27(9-13(20)10-28(21)26-12)15-3-4-16(19(24)8-15)17-7-14(22)2-5-18(17)23/h2,5-7,10,15-16,19H,3-4,8-9,11,24H2,1H3/t15-,16-,19+/s2
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n/an/a 2.40E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 26: 2622-6 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50170959
PNG
(CHEMBL3805226)
Show SMILES Cc1cc2nc3CN(Cc3cn2n1)[C@H]1CC[C@@H]([C@@H](N)C1)c1cc(F)ccc1F
Show InChI InChI=1/C21H23F2N5/c1-12-6-21-25-20-11-27(9-13(20)10-28(21)26-12)15-3-4-16(19(24)8-15)17-7-14(22)2-5-18(17)23/h2,5-7,10,15-16,19H,3-4,8-9,11,24H2,1H3/t15-,16+,19-/s2
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n/an/a 3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 26: 2622-6 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50170939
PNG
(CHEMBL3806052)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2nn3nccnc3c2C1
Show InChI InChI=1/C18H18F2N6O/c19-10-1-2-14(20)12(5-10)17-15(21)6-11(9-27-17)25-7-13-16(8-25)24-26-18(13)22-3-4-23-26/h1-5,11,15,17H,6-9,21H2/t11-,15+,17-/s2
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n/an/a 3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 26: 2622-6 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50170956
PNG
(CHEMBL3805294)
Show SMILES Cc1cc2ncc3CN(Cc3n2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F
Show InChI InChI=1/C20H21F2N5O/c1-11-4-19-24-7-12-8-26(9-18(12)27(19)25-11)14-6-17(23)20(28-10-14)15-5-13(21)2-3-16(15)22/h2-5,7,14,17,20H,6,8-10,23H2,1H3/t14-,17+,20-/s2
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n/an/a 3.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 26: 2622-6 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50170918
PNG
(CHEMBL3806179)
Show SMILES Cc1cc2ncc3CN(Cc3n2n1)[C@@H]1CC[C@@H]([C@@H](N)C1)c1cc(F)ccc1F
Show InChI InChI=1/C21H23F2N5/c1-12-6-21-25-9-13-10-27(11-20(13)28(21)26-12)15-3-4-16(19(24)8-15)17-7-14(22)2-5-18(17)23/h2,5-7,9,15-16,19H,3-4,8,10-11,24H2,1H3/t15-,16-,19+/s2
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n/an/a 5.30E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 26: 2622-6 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM162377
PNG
(US9051329, Example 2)
Show SMILES CN1C(=O)Cn2c1nc1nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C#N)c1c2=O
Show InChI InChI=1/C21H22N8O2/c1-26-16(30)12-29-19(31)17-18(24-20(26)29)25-21(27-8-4-7-15(23)11-27)28(17)10-14-6-3-2-5-13(14)9-22/h2-3,5-6,15H,4,7-8,10-12,23H2,1H3/t15-/s2
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n/an/a 5.36E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FAP (unknown origin) preincubated for 20 mins followed by Nle-Pro-AMC addition measured for 40 mins by continuous fluorescence assay


ACS Med Chem Lett 7: 498-501 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50170953
PNG
(CHEMBL3805154)
Show SMILES Cc1cc(O)n2nc3CN(Cc3c2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F
Show InChI InChI=1/C20H20F3N5O2/c1-9-2-18(29)28-20(25-9)12-6-27(7-17(12)26-28)10-3-16(24)19(30-8-10)11-4-14(22)15(23)5-13(11)21/h2,4-5,10,16,19,29H,3,6-8,24H2,1H3/t10-,16+,19-/s2
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n/an/a 5.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 26: 2622-6 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50170937
PNG
(CHEMBL3804854)
Show SMILES Cc1ccn2nc3CN(Cc3c2n1)[C@@H]1CC[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F
Show InChI InChI=1/C21H22F3N5/c1-11-4-5-29-21(26-11)15-9-28(10-20(15)27-29)12-2-3-13(19(25)6-12)14-7-17(23)18(24)8-16(14)22/h4-5,7-8,12-13,19H,2-3,6,9-10,25H2,1H3/t12-,13-,19+/s2
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n/an/a 5.70E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 26: 2622-6 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50170940
PNG
(CHEMBL3805353)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2nn3cncnc3c2C1
Show InChI InChI=1/C18H18F2N6O/c19-10-1-2-14(20)12(3-10)17-15(21)4-11(7-27-17)25-5-13-16(6-25)24-26-9-22-8-23-18(13)26/h1-3,8-9,11,15,17H,4-7,21H2/t11-,15+,17-/s2
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n/an/a 5.80E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 26: 2622-6 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50011913
PNG
(5-amino-2-aminomethyl-6-[4,6-diamino-3-(4-amino-3,...)
Show SMILES CC(C)SCC1OC(OC2C(N)CC(N)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(O)C(N)C1O
Show InChI InChI=1S/C21H43N5O9S/c1-6(2)36-5-10-13(27)11(25)16(30)21(33-10)35-19-8(24)3-7(23)18(17(19)31)34-20-12(26)15(29)14(28)9(4-22)32-20/h6-21,27-31H,3-5,22-26H2,1-2H3
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n/an/a 6.00E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
In vitro inhibition of lysosomal phospholipase activity for release of labeled lysophosphatidylcholine


J Med Chem 34: 1476-82 (1991)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50170927
PNG
(CHEMBL3806216)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2nn3cccnc3c2C1
Show InChI InChI=1/C19H19F2N5O/c20-11-2-3-15(21)13(6-11)18-16(22)7-12(10-27-18)25-8-14-17(9-25)24-26-5-1-4-23-19(14)26/h1-6,12,16,18H,7-10,22H2/t12-,16+,18-/s2
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n/an/a 6.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 26: 2622-6 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50011901
PNG
(5-amino-2-aminomethyl-6-[4,6-diamino-3-(4-amino-6-...)
Show SMILES CCN(CC)CC1OC(OC2C(N)CC(N)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(O)C(N)C1O
Show InChI InChI=1S/C22H46N6O9/c1-3-28(4-2)7-11-14(29)12(26)17(32)22(35-11)37-20-9(25)5-8(24)19(18(20)33)36-21-13(27)16(31)15(30)10(6-23)34-21/h8-22,29-33H,3-7,23-27H2,1-2H3
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n/an/a 6.50E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
In vitro inhibition of lysosomal phospholipase activity for release of labeled lysophosphatidylcholine


J Med Chem 34: 1476-82 (1991)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50011899
PNG
(5-amino-2-aminomethyl-6-[4,6-diamino-3-(4-amino-6-...)
Show SMILES CCCCSCC1OC(OC2C(N)CC(N)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(O)C(N)C1O
Show InChI InChI=1S/C22H45N5O9S/c1-2-3-4-37-7-11-14(28)12(26)17(31)22(34-11)36-20-9(25)5-8(24)19(18(20)32)35-21-13(27)16(30)15(29)10(6-23)33-21/h8-22,28-32H,2-7,23-27H2,1H3
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n/an/a 7.70E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
In vitro inhibition of lysosomal phospholipase activity for release of labeled lysophosphatidylcholine


J Med Chem 34: 1476-82 (1991)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50170935
PNG
(CHEMBL3804950)
Show SMILES Cc1ccnc2c3CN(Cc3nn12)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F
Show InChI InChI=1/C20H21F2N5O/c1-11-4-5-24-20-15-8-26(9-18(15)25-27(11)20)13-7-17(23)19(28-10-13)14-6-12(21)2-3-16(14)22/h2-6,13,17,19H,7-10,23H2,1H3/t13-,17+,19-/s2
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n/an/a 7.70E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 26: 2622-6 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50011914
PNG
(5-amino-2-aminomethyl-6-[4,6-diamino-3-(4-amino-6-...)
Show SMILES CCSCC1OC(OC2C(N)CC(N)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(O)C(N)C1O
Show InChI InChI=1S/C20H41N5O9S/c1-2-35-5-9-12(26)10(24)15(29)20(32-9)34-18-7(23)3-6(22)17(16(18)30)33-19-11(25)14(28)13(27)8(4-21)31-19/h6-20,26-30H,2-5,21-25H2,1H3
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n/an/a 7.80E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
In vitro inhibition of lysosomal phospholipase activity for release of labeled lysophosphatidylcholine


J Med Chem 34: 1476-82 (1991)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50011926
PNG
(4-amino-2-[2,4-diamino-5-(3-amino-6-aminomethyl-4,...)
Show SMILES NCC1OC(OC2C(N)CC(N)(CO)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)C(O)C1O
Show InChI InChI=1S/C19H39N5O11/c20-2-6-11(28)12(29)9(23)17(32-6)34-15-5(21)1-19(24,4-26)16(14(15)31)35-18-13(30)8(22)10(27)7(3-25)33-18/h5-18,25-31H,1-4,20-24H2
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n/an/a 7.90E+4n/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by ChEMBL


Assay Description
in vitro inhibitory activity against Lysosomal phospholipase A1 consisting of negatively charged liposomes and lysosomal extracts. p<0.05


J Med Chem 34: 1483-92 (1991)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50011904
PNG
(5-amino-2-aminomethyl-6-[4,6-diamino-3-(4-amino-3,...)
Show SMILES NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4CCCC4)C(O)C(N)C3O)C2O)C(N)C(O)C1O
Show InChI InChI=1S/C22H44N6O9/c23-6-10-15(30)16(31)13(27)21(34-10)36-19-8(24)5-9(25)20(18(19)33)37-22-17(32)12(26)14(29)11(35-22)7-28-3-1-2-4-28/h8-22,29-33H,1-7,23-27H2
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n/an/a 8.10E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
In vitro inhibition of lysosomal phospholipase activity for release of labeled lysophosphatidylcholine


J Med Chem 34: 1476-82 (1991)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50011902
PNG
(5-amino-2-aminomethyl-6-[4,6-diamino-3-(4-amino-6-...)
Show SMILES NCC1OC(OC2C(N)CC(N)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(O)C(N)C1O
Show InChI InChI=1S/C18H38N6O9/c19-2-6-10(25)8(23)13(28)18(31-6)33-16-5(22)1-4(21)15(14(16)29)32-17-9(24)12(27)11(26)7(3-20)30-17/h4-18,25-29H,1-3,19-24H2
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n/an/a 8.30E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
In vitro inhibition of lysosomal phospholipase activity for release of labeled lysophosphatidylcholine


J Med Chem 34: 1476-82 (1991)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50011897
PNG
(5-amino-2-aminomethyl-6-[4,6-diamino-3-(4-amino-3,...)
Show SMILES NCC1OC(OC2C(N)CC(N)C(OC3OC(COc4ccccc4)C(O)C(N)C3O)C2O)C(N)C(O)C1O
Show InChI InChI=1S/C24H41N5O10/c25-7-12-17(31)18(32)15(29)23(36-12)38-21-10(26)6-11(27)22(20(21)34)39-24-19(33)14(28)16(30)13(37-24)8-35-9-4-2-1-3-5-9/h1-5,10-24,30-34H,6-8,25-29H2
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n/an/a 8.30E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
In vitro inhibition of lysosomal phospholipase activity for release of labeled lysophosphatidylcholine


J Med Chem 34: 1476-82 (1991)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50011898
PNG
(2-{4-Amino-6-[4,6-diamino-3-(3-amino-6-aminomethyl...)
Show SMILES CONC(=O)CC1OC(OC2C(N)CC(N)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(O)C(N)C1O
Show InChI InChI=1S/C20H40N6O11/c1-33-26-9(27)3-7-12(28)10(24)15(31)20(34-7)37-18-6(23)2-5(22)17(16(18)32)36-19-11(25)14(30)13(29)8(4-21)35-19/h5-8,10-20,28-32H,2-4,21-25H2,1H3,(H,26,27)
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n/an/a 8.70E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
In vitro inhibition of lysosomal phospholipase activity for release of labeled lysophosphatidylcholine


J Med Chem 34: 1476-82 (1991)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50011905
PNG
(CHEMBL285200 | N-{4-Amino-6-[4,6-diamino-3-(3-amin...)
Show SMILES CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(O)C(N)C1O
Show InChI InChI=1S/C22H44N6O10/c1-2-3-11(29)28-6-10-14(30)12(26)17(33)22(36-10)38-20-8(25)4-7(24)19(18(20)34)37-21-13(27)16(32)15(31)9(5-23)35-21/h7-10,12-22,30-34H,2-6,23-27H2,1H3,(H,28,29)
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n/an/a 8.80E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
In vitro inhibition of lysosomal phospholipase activity for release of labeled lysophosphatidylcholine


J Med Chem 34: 1476-82 (1991)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50011894
PNG
(5-amino-2-aminomethyl-6-[4,6-diamino-3-(4-amino-6-...)
Show SMILES NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=[N-])C(O)C(N)C3O)C2O)C(N)C(O)C1O
Show InChI InChI=1S/C18H36N8O9/c19-2-6-11(28)12(29)9(23)17(32-6)34-15-4(20)1-5(21)16(14(15)31)35-18-13(30)8(22)10(27)7(33-18)3-25-26-24/h4-18,27-31H,1-3,19-23H2
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n/an/a 8.90E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
In vitro inhibition of lysosomal phospholipase activity for release of labeled lysophosphatidylcholine


J Med Chem 34: 1476-82 (1991)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50170971
PNG
(CHEMBL3805235)
Show SMILES Cc1ccnc2c3CN(Cc3nn12)[C@@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F
Show InChI InChI=1/C20H20F3N5O/c1-10-2-3-25-20-13-7-27(8-18(13)26-28(10)20)11-4-17(24)19(29-9-11)12-5-15(22)16(23)6-14(12)21/h2-3,5-6,11,17,19H,4,7-9,24H2,1H3/t11-,17-,19+/s2
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n/an/a 9.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 26: 2622-6 (2016)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50011925
PNG
(5-amino-2-aminomethyl-6-[4,6-diamino-3-(4-amino-3,...)
Show SMILES CC(C)OCC1OC(OC2C(N)CC(N)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(O)C(N)C1O
Show InChI InChI=1S/C21H43N5O10/c1-6(2)32-5-10-13(27)11(25)16(30)21(34-10)36-19-8(24)3-7(23)18(17(19)31)35-20-12(26)15(29)14(28)9(4-22)33-20/h6-21,27-31H,3-5,22-26H2,1-2H3
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n/an/a 9.30E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
In vitro inhibition of lysosomal phospholipase activity for release of labeled lysophosphatidylcholine


J Med Chem 34: 1476-82 (1991)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50011912
PNG
(4-amino-2-[4,6-diamino-3-(3-amino-6-aminomethyl-4,...)
Show SMILES CC1OC(OC2C(N)CC(N)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(O)C(N)C1O
Show InChI InChI=1S/C18H37N5O9/c1-4-10(24)8(22)13(27)18(29-4)32-16-6(21)2-5(20)15(14(16)28)31-17-9(23)12(26)11(25)7(3-19)30-17/h4-18,24-28H,2-3,19-23H2,1H3
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n/an/a 9.30E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
In vitro inhibition of lysosomal phospholipase activity for release of labeled lysophosphatidylcholine


J Med Chem 34: 1476-82 (1991)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50011929
PNG
(4-amino-2-azidomethyl-6-[2,4-diamino-5-(3-amino-6-...)
Show SMILES NCC1OC(OC2C(N)CC(N)(CO)C(OC3OC(CN=[N+]=[N-])C(O)C(N)C3O)C2O)C(N)C(O)C1O
Show InChI InChI=1S/C19H38N8O10/c20-2-6-11(30)12(31)9(23)17(34-6)36-15-5(21)1-19(24,4-28)16(14(15)33)37-18-13(32)8(22)10(29)7(35-18)3-26-27-25/h5-18,28-33H,1-4,20-24H2
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n/an/a 9.50E+4n/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by ChEMBL


Assay Description
in vitro inhibitory activity against Lysosomal phospholipase A1 consisting of negatively charged liposomes and lysosomal extracts. p<0.05


J Med Chem 34: 1483-92 (1991)

More data for this
Ligand-Target Pair
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