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Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with Target = 'Pancreatic lipase' AND taxid = 9606   
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
Pancreatic lipase


(Homo sapiens)
BDBM50381861
PNG
(CHEMBL2022676)
Show SMILES CCCCCCCOc1ccc(NC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1
Show InChI InChI=1S/C35H44N4O5/c1-2-3-4-5-12-23-44-29-19-17-28(18-20-29)37-32(40)21-22-33(41)38-31(25-27-15-10-7-11-16-27)35(43)39-30(34(36)42)24-26-13-8-6-9-14-26/h6-11,13-20,30-31H,2-5,12,21-25H2,1H3,(H2,36,42)(H,37,40)(H,38,41)(H,39,43)/t30-,31-/m0/s1
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6.70E+4n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic lipase using p-nitrophenylbutyrate as substrate by Dixon plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens)
BDBM50381860
PNG
(CHEMBL2022680)
Show SMILES CCCCOc1ccc(NC(=O)CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1
Show InChI InChI=1S/C32H38N4O6/c1-2-3-19-42-26-15-11-24(12-16-26)34-29(38)17-18-30(39)35-28(21-23-9-13-25(37)14-10-23)32(41)36-27(31(33)40)20-22-7-5-4-6-8-22/h4-16,27-28,37H,2-3,17-21H2,1H3,(H2,33,40)(H,34,38)(H,35,39)(H,36,41)/t27-,28-/m0/s1
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1.70E+5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic lipase using p-nitrophenylbutyrate as substrate by Dixon plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens)
BDBM50381859
PNG
(CHEMBL2022681)
Show SMILES CCCCOc1ccc(NC(=O)CCC(=O)N[C@H](C(=O)N[C@H](C(N)=O)c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C38H38N4O5/c1-2-3-22-47-32-18-16-31(17-19-32)40-33(43)20-21-34(44)41-36(30-15-13-26-9-5-7-11-28(26)24-30)38(46)42-35(37(39)45)29-14-12-25-8-4-6-10-27(25)23-29/h4-19,23-24,35-36H,2-3,20-22H2,1H3,(H2,39,45)(H,40,43)(H,41,44)(H,42,46)/t35-,36-/m0/s1
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3.60E+5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic lipase using p-nitrophenylbutyrate as substrate by Dixon plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens)
BDBM50381858
PNG
(CHEMBL2022679)
Show SMILES CCCCOc1ccc(NC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)cc1
Show InChI InChI=1S/C32H38N4O6/c1-2-3-19-42-26-15-11-24(12-16-26)34-29(38)17-18-30(39)35-28(21-22-7-5-4-6-8-22)32(41)36-27(31(33)40)20-23-9-13-25(37)14-10-23/h4-16,27-28,37H,2-3,17-21H2,1H3,(H2,33,40)(H,34,38)(H,35,39)(H,36,41)/t27-,28-/m0/s1
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5.50E+5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic lipase using p-nitrophenylbutyrate as substrate by Dixon plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens)
BDBM24567
PNG
((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
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n/an/a 0.0400n/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Inhibition of pancreatic lipase assessed as umoles of oleic acic released per millimiter of triolein per hour


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens)
BDBM50138734
PNG
(3-(3-(benzyloxy)phenyl)-5-ethoxy-1,3,4-oxadiazol-2...)
Show SMILES CCOc1nn(-c2cccc(OCc3ccccc3)c2)c(=O)o1
Show InChI InChI=1S/C17H16N2O4/c1-2-21-16-18-19(17(20)23-16)14-9-6-10-15(11-14)22-12-13-7-4-3-5-8-13/h3-11H,2,12H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Compound was tested to inhibit pancreatic lipase (PL)


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens)
BDBM50138739
PNG
(4-tert-Butyl-N-[4-(5-methoxy-2-oxo-[1,3,4]oxadiazo...)
Show SMILES COc1nn(-c2ccc(NC(=O)c3ccc(cc3)C(C)(C)C)cc2)c(=O)o1
Show InChI InChI=1S/C20H21N3O4/c1-20(2,3)14-7-5-13(6-8-14)17(24)21-15-9-11-16(12-10-15)23-19(25)27-18(22-23)26-4/h5-12H,1-4H3,(H,21,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Compound was tested to inhibit pancreatic lipase (PL)


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens)
BDBM50213683
PNG
(CHEMBL218693 | carnosol)
Show SMILES CC(C)c1cc2[C@@H]3C[C@H]4C(C)(C)CCC[C@]4(C(=O)O3)c2c(O)c1O
Show InChI InChI=1S/C20H26O4/c1-10(2)11-8-12-13-9-14-19(3,4)6-5-7-20(14,18(23)24-13)15(12)17(22)16(11)21/h8,10,13-14,21-22H,5-7,9H2,1-4H3/t13-,14-,20+/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Sinhgad College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of pancreatic lipase


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens)
BDBM50326047
PNG
((6S,9R,12R)-1-((R)-1-((R)-2-((S)-1-((S)-5-amino-2-...)
Show SMILES C[C@@H](O)[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CS)C(=O)N[C@H](CS)C(O)=O
Show InChI InChI=1S/C38H59N13O13S2/c1-18(52)30(35(60)48-24(16-66)38(63)64)49-32(57)21(6-8-27(40)53)45-29(55)14-43-33(58)25-4-2-10-50(25)37(62)23(12-19-13-42-17-44-19)47-34(59)26-5-3-11-51(26)36(61)22(7-9-28(41)54)46-31(56)20(39)15-65/h13,17-18,20-26,30,52,65-66H,2-12,14-16,39H2,1H3,(H2,40,53)(H2,41,54)(H,42,44)(H,43,58)(H,45,55)(H,46,56)(H,47,59)(H,48,60)(H,49,57)(H,63,64)/t18-,20+,21-,22+,23+,24-,25-,26+,30-/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Laboratory of Molecular Biology, Medical Research Council

Curated by ChEMBL


Assay Description
Binding affinity to pancreatic lipase


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens)
BDBM50213689
PNG
((S)-2-((2E,8E)-deca-2,8-dienoylamino)-3-((S)-5-hyd...)
Show SMILES COC(=O)[C@H](C[C@]1(O)C2OC2C2OC2C1=O)NC(=O)\C=C\CCCC\C=C\C
Show InChI InChI=1S/C20H27NO7/c1-3-4-5-6-7-8-9-10-13(22)21-12(19(24)26-2)11-20(25)17(23)15-14(27-15)16-18(20)28-16/h3-4,9-10,12,14-16,18,25H,5-8,11H2,1-2H3,(H,21,22)/b4-3+,10-9+/t12-,14?,15?,16?,18?,20+/m0/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



Sinhgad College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of pancreatic lipase


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens)
BDBM50371232
PNG
(CARNOSIC ACID)
Show SMILES CC(C)c1cc2CC[C@H]3C(C)(C)CCC[C@]3(C(O)=O)c2c(O)c1O
Show InChI InChI=1S/C20H28O4/c1-11(2)13-10-12-6-7-14-19(3,4)8-5-9-20(14,18(23)24)15(12)17(22)16(13)21/h10-11,14,21-22H,5-9H2,1-4H3,(H,23,24)/t14-,20+/m0/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a



Sinhgad College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of pancreatic lipase


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens)
BDBM50138737
PNG
(3-(4-Chloro-phenyl)-5-(2,2,2-trifluoro-ethylsulfan...)
Show SMILES CN(C(=O)n1nc(nc1SCC(F)(F)F)-c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C18H14ClF3N4OS/c1-25(14-5-3-2-4-6-14)17(27)26-16(28-11-18(20,21)22)23-15(24-26)12-7-9-13(19)10-8-12/h2-10H,11H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Compound was tested to inhibit pancreatic lipase (PL)


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens)
BDBM50138751
PNG
(5-Methylsulfanyl-3-(4-trifluoromethoxy-phenyl)-[1,...)
Show SMILES CSc1nc(nn1C(=O)N(C)c1ccccc1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H15F3N4O2S/c1-24(13-6-4-3-5-7-13)17(26)25-16(28-2)22-15(23-25)12-8-10-14(11-9-12)27-18(19,20)21/h3-11H,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Compound was tested to inhibit pancreatic lipase (PL)


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens)
BDBM50138735
PNG
((S)-4-isopropyl-3-methyl-2-(3-methylpiperidine-1-c...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCC[C@H](C)C1
Show InChI InChI=1S/C14H22N2O3/c1-9(2)12-11(4)16(19-13(12)17)14(18)15-7-5-6-10(3)8-15/h9-10H,5-8H2,1-4H3/t10-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Compound was tested to inhibit pancreatic lipase (PL)


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens)
BDBM50213686
PNG
(2-((2E,8E)-deca-2,8-dienoylamino)-3-(5-hydroxy-6-o...)
Show SMILES COC(=O)C(CC1(O)C2OC2C2OC2C1=O)NC(=O)\C=C\CCCC\C=C\C
Show InChI InChI=1S/C20H27NO7/c1-3-4-5-6-7-8-9-10-13(22)21-12(19(24)26-2)11-20(25)17(23)15-14(27-15)16-18(20)28-16/h3-4,9-10,12,14-16,18,25H,5-8,11H2,1-2H3,(H,21,22)/b4-3+,10-9+
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n/an/a 1.20E+5n/an/an/an/an/an/a



Sinhgad College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of pancreatic lipase


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens)
BDBM50213694
PNG
((R)-2-((2E,8E)-deca-2,8-dienoylamino)-3-((R)-5-hyd...)
Show SMILES COC(=O)[C@@H](C[C@@]1(O)C2OC2C2OC2C1=O)NC(=O)\C=C\CCCC\C=C\C
Show InChI InChI=1S/C20H27NO7/c1-3-4-5-6-7-8-9-10-13(22)21-12(19(24)26-2)11-20(25)17(23)15-14(27-15)16-18(20)28-16/h3-4,9-10,12,14-16,18,25H,5-8,11H2,1-2H3,(H,21,22)/b4-3+,10-9+/t12-,14?,15?,16?,18?,20+/m1/s1
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n/an/a 2.70E+5n/an/an/an/an/an/a



Sinhgad College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of pancreatic lipase


Citation and Details
More data for this
Ligand-Target Pair