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Compile Data Set for Download or QSAR

Found 32 hits from Birla Institute of Technology and Science Pilani (Pilani Campus)   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
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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9.80E+3n/an/an/an/an/an/an/an/a



Birla Institute of Technology and Science Pilani (Pilani Campus)

Curated by ChEMBL


Assay Description
Competitive inhibition of porcine pancreatic lipase 4-nitrophenyl butyrate substrate preincubated for 30 mins followed by substrate addition measured...


Bioorg Med Chem 25: 609-620 (2017)


Article DOI: 10.1016/j.bmc.2016.11.031
BindingDB Entry DOI: 10.7270/Q2J968C6
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50207386
PNG
(CHEMBL3967165)
Show SMILES COc1ccc(NC(=O)C(=O)c2ccc3n(Cc4ccc(Cl)cc4)c4ccccc4c3c2)cc1OC
Show InChI InChI=1S/C29H23ClN2O4/c1-35-26-14-12-21(16-27(26)36-2)31-29(34)28(33)19-9-13-25-23(15-19)22-5-3-4-6-24(22)32(25)17-18-7-10-20(30)11-8-18/h3-16H,17H2,1-2H3,(H,31,34)
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1.75E+4n/an/an/an/an/an/an/an/a



Birla Institute of Technology and Science Pilani (Pilani Campus)

Curated by ChEMBL


Assay Description
Competitive inhibition of porcine pancreatic lipase 4-nitrophenyl butyrate substrate preincubated for 30 mins followed by substrate addition measured...


Bioorg Med Chem 25: 609-620 (2017)


Article DOI: 10.1016/j.bmc.2016.11.031
BindingDB Entry DOI: 10.7270/Q2J968C6
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50207381
PNG
(CHEMBL3934940)
Show SMILES COc1cc(NC(=O)C(=O)c2ccc3n(Cc4ccc(Cl)cc4)c4ccccc4c3c2)cc(OC)c1OC
Show InChI InChI=1S/C30H25ClN2O5/c1-36-26-15-21(16-27(37-2)29(26)38-3)32-30(35)28(34)19-10-13-25-23(14-19)22-6-4-5-7-24(22)33(25)17-18-8-11-20(31)12-9-18/h4-16H,17H2,1-3H3,(H,32,35)
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1.96E+4n/an/an/an/an/an/an/an/a



Birla Institute of Technology and Science Pilani (Pilani Campus)

Curated by ChEMBL


Assay Description
Competitive inhibition of porcine pancreatic lipase 4-nitrophenyl butyrate substrate preincubated for 30 mins followed by substrate addition measured...


Bioorg Med Chem 25: 609-620 (2017)


Article DOI: 10.1016/j.bmc.2016.11.031
BindingDB Entry DOI: 10.7270/Q2J968C6
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50207370
PNG
(CHEMBL3896540)
Show SMILES COc1cc(NC(=O)C(=O)c2ccc3[nH]c4ccccc4c3c2)cc(OC)c1OC
Show InChI InChI=1S/C23H20N2O5/c1-28-19-11-14(12-20(29-2)22(19)30-3)24-23(27)21(26)13-8-9-18-16(10-13)15-6-4-5-7-17(15)25-18/h4-12,25H,1-3H3,(H,24,27)
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2.16E+4n/an/an/an/an/an/an/an/a



Birla Institute of Technology and Science Pilani (Pilani Campus)

Curated by ChEMBL


Assay Description
Competitive inhibition of porcine pancreatic lipase 4-nitrophenyl butyrate substrate preincubated for 30 mins followed by substrate addition measured...


Bioorg Med Chem 25: 609-620 (2017)


Article DOI: 10.1016/j.bmc.2016.11.031
BindingDB Entry DOI: 10.7270/Q2J968C6
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
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 990n/an/an/an/an/an/a



Birla Institute of Technology and Science Pilani (Pilani Campus)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase assessed as reduction in 4-nitrophenol formation from 4-nitrophenyl butyrate substrate preincubated for 30 mi...


Bioorg Med Chem 25: 609-620 (2017)


Article DOI: 10.1016/j.bmc.2016.11.031
BindingDB Entry DOI: 10.7270/Q2J968C6
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50207386
PNG
(CHEMBL3967165)
Show SMILES COc1ccc(NC(=O)C(=O)c2ccc3n(Cc4ccc(Cl)cc4)c4ccccc4c3c2)cc1OC
Show InChI InChI=1S/C29H23ClN2O4/c1-35-26-14-12-21(16-27(26)36-2)31-29(34)28(33)19-9-13-25-23(15-19)22-5-3-4-6-24(22)32(25)17-18-7-10-20(30)11-8-18/h3-16H,17H2,1-2H3,(H,31,34)
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n/an/a 6.31E+3n/an/an/an/an/an/a



Birla Institute of Technology and Science Pilani (Pilani Campus)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase assessed as reduction in 4-nitrophenol formation from 4-nitrophenyl butyrate substrate preincubated for 30 mi...


Bioorg Med Chem 25: 609-620 (2017)


Article DOI: 10.1016/j.bmc.2016.11.031
BindingDB Entry DOI: 10.7270/Q2J968C6
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50207381
PNG
(CHEMBL3934940)
Show SMILES COc1cc(NC(=O)C(=O)c2ccc3n(Cc4ccc(Cl)cc4)c4ccccc4c3c2)cc(OC)c1OC
Show InChI InChI=1S/C30H25ClN2O5/c1-36-26-15-21(16-27(37-2)29(26)38-3)32-30(35)28(34)19-10-13-25-23(14-19)22-6-4-5-7-24(22)33(25)17-18-8-11-20(31)12-9-18/h4-16H,17H2,1-3H3,(H,32,35)
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n/an/a 8.72E+3n/an/an/an/an/an/a



Birla Institute of Technology and Science Pilani (Pilani Campus)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase assessed as reduction in 4-nitrophenol formation from 4-nitrophenyl butyrate substrate preincubated for 30 mi...


Bioorg Med Chem 25: 609-620 (2017)


Article DOI: 10.1016/j.bmc.2016.11.031
BindingDB Entry DOI: 10.7270/Q2J968C6
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50207370
PNG
(CHEMBL3896540)
Show SMILES COc1cc(NC(=O)C(=O)c2ccc3[nH]c4ccccc4c3c2)cc(OC)c1OC
Show InChI InChI=1S/C23H20N2O5/c1-28-19-11-14(12-20(29-2)22(19)30-3)24-23(27)21(26)13-8-9-18-16(10-13)15-6-4-5-7-17(15)25-18/h4-12,25H,1-3H3,(H,24,27)
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n/an/a 9.58E+3n/an/an/an/an/an/a



Birla Institute of Technology and Science Pilani (Pilani Campus)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase assessed as reduction in 4-nitrophenol formation from 4-nitrophenyl butyrate substrate preincubated for 30 mi...


Bioorg Med Chem 25: 609-620 (2017)


Article DOI: 10.1016/j.bmc.2016.11.031
BindingDB Entry DOI: 10.7270/Q2J968C6
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50207390
PNG
(CHEMBL3976270)
Show SMILES CCn1c2ccccc2c2cc(ccc12)C(=O)C(=O)Nc1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C25H24N2O5/c1-5-27-19-9-7-6-8-17(19)18-12-15(10-11-20(18)27)23(28)25(29)26-16-13-21(30-2)24(32-4)22(14-16)31-3/h6-14H,5H2,1-4H3,(H,26,29)
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n/an/a 1.14E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science Pilani (Pilani Campus)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase assessed as reduction in 4-nitrophenol formation from 4-nitrophenyl butyrate substrate preincubated for 30 mi...


Bioorg Med Chem 25: 609-620 (2017)


Article DOI: 10.1016/j.bmc.2016.11.031
BindingDB Entry DOI: 10.7270/Q2J968C6
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50207395
PNG
(CHEMBL3908464)
Show SMILES Cc1ccc(NC(=O)C(=O)c2ccc3n(Cc4ccc(Cl)cc4)c4ccccc4c3c2)cc1
Show InChI InChI=1S/C28H21ClN2O2/c1-18-6-13-22(14-7-18)30-28(33)27(32)20-10-15-26-24(16-20)23-4-2-3-5-25(23)31(26)17-19-8-11-21(29)12-9-19/h2-16H,17H2,1H3,(H,30,33)
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n/an/a 1.35E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science Pilani (Pilani Campus)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase assessed as reduction in 4-nitrophenol formation from 4-nitrophenyl butyrate substrate preincubated for 30 mi...


Bioorg Med Chem 25: 609-620 (2017)


Article DOI: 10.1016/j.bmc.2016.11.031
BindingDB Entry DOI: 10.7270/Q2J968C6
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50207371
PNG
(CHEMBL3979181)
Show SMILES Clc1ccc(Cn2c3ccccc3c3cc(ccc23)C(=O)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C27H19ClN2O2/c28-20-13-10-18(11-14-20)17-30-24-9-5-4-8-22(24)23-16-19(12-15-25(23)30)26(31)27(32)29-21-6-2-1-3-7-21/h1-16H,17H2,(H,29,32)
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n/an/a 1.39E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science Pilani (Pilani Campus)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase assessed as reduction in 4-nitrophenol formation from 4-nitrophenyl butyrate substrate preincubated for 30 mi...


Bioorg Med Chem 25: 609-620 (2017)


Article DOI: 10.1016/j.bmc.2016.11.031
BindingDB Entry DOI: 10.7270/Q2J968C6
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50207379
PNG
(CHEMBL3944368)
Show SMILES CN(C)c1ccc(NC(=O)C(=O)c2ccc3n(Cc4ccc(Cl)cc4)c4ccccc4c3c2)cc1
Show InChI InChI=1S/C29H24ClN3O2/c1-32(2)23-14-12-22(13-15-23)31-29(35)28(34)20-9-16-27-25(17-20)24-5-3-4-6-26(24)33(27)18-19-7-10-21(30)11-8-19/h3-17H,18H2,1-2H3,(H,31,35)
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n/an/a 1.48E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science Pilani (Pilani Campus)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase assessed as reduction in 4-nitrophenol formation from 4-nitrophenyl butyrate substrate preincubated for 30 mi...


Bioorg Med Chem 25: 609-620 (2017)


Article DOI: 10.1016/j.bmc.2016.11.031
BindingDB Entry DOI: 10.7270/Q2J968C6
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50207388
PNG
(CHEMBL3906649)
Show SMILES COc1ccc(NC(=O)C(=O)c2ccc3n(Cc4ccc(Cl)cc4)c4ccccc4c3c2)cc1
Show InChI InChI=1S/C28H21ClN2O3/c1-34-22-13-11-21(12-14-22)30-28(33)27(32)19-8-15-26-24(16-19)23-4-2-3-5-25(23)31(26)17-18-6-9-20(29)10-7-18/h2-16H,17H2,1H3,(H,30,33)
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n/an/a 1.48E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science Pilani (Pilani Campus)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase assessed as reduction in 4-nitrophenol formation from 4-nitrophenyl butyrate substrate preincubated for 30 mi...


Bioorg Med Chem 25: 609-620 (2017)


Article DOI: 10.1016/j.bmc.2016.11.031
BindingDB Entry DOI: 10.7270/Q2J968C6
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50207373
PNG
(CHEMBL3931385)
Show SMILES CCn1c2ccccc2c2cc(ccc12)C(=O)C(=O)Nc1ccc2ncccc2c1
Show InChI InChI=1S/C25H19N3O2/c1-2-28-22-8-4-3-7-19(22)20-15-17(9-12-23(20)28)24(29)25(30)27-18-10-11-21-16(14-18)6-5-13-26-21/h3-15H,2H2,1H3,(H,27,30)
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n/an/a 1.55E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science Pilani (Pilani Campus)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase assessed as reduction in 4-nitrophenol formation from 4-nitrophenyl butyrate substrate preincubated for 30 mi...


Bioorg Med Chem 25: 609-620 (2017)


Article DOI: 10.1016/j.bmc.2016.11.031
BindingDB Entry DOI: 10.7270/Q2J968C6
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50207394
PNG
(CHEMBL3906497)
Show SMILES CCn1c2ccccc2c2cc(ccc12)C(=O)C(=O)Nc1ccc(OC)c(OC)c1
Show InChI InChI=1S/C24H22N2O4/c1-4-26-19-8-6-5-7-17(19)18-13-15(9-11-20(18)26)23(27)24(28)25-16-10-12-21(29-2)22(14-16)30-3/h5-14H,4H2,1-3H3,(H,25,28)
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n/an/a 1.64E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science Pilani (Pilani Campus)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase assessed as reduction in 4-nitrophenol formation from 4-nitrophenyl butyrate substrate preincubated for 30 mi...


Bioorg Med Chem 25: 609-620 (2017)


Article DOI: 10.1016/j.bmc.2016.11.031
BindingDB Entry DOI: 10.7270/Q2J968C6
More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens)
BDBM50207385
PNG
(CHEBI:6646 | MAHANIMBINE | Mahanimbine | Rel-(+)-M...)
Show SMILES CC(C)=CCCC1(C)Oc2c(C)cc3c([nH]c4ccccc34)c2C=C1
Show InChI InChI=1S/C23H25NO/c1-15(2)8-7-12-23(4)13-11-18-21-19(14-16(3)22(18)25-23)17-9-5-6-10-20(17)24-21/h5-6,8-11,13-14,24H,7,12H2,1-4H3
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n/an/a 1.79E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science Pilani (Pilani Campus)

Curated by ChEMBL


Assay Description
Inhibition of pancreatic lipase (unknown origin)


Bioorg Med Chem 25: 609-620 (2017)


Article DOI: 10.1016/j.bmc.2016.11.031
BindingDB Entry DOI: 10.7270/Q2J968C6
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50207376
PNG
(CHEMBL3932922)
Show SMILES COc1ccc(NC(=O)C(=O)c2ccc3[nH]c4ccccc4c3c2)cc1
Show InChI InChI=1S/C21H16N2O3/c1-26-15-9-7-14(8-10-15)22-21(25)20(24)13-6-11-19-17(12-13)16-4-2-3-5-18(16)23-19/h2-12,23H,1H3,(H,22,25)
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n/an/a 1.93E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science Pilani (Pilani Campus)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase assessed as reduction in 4-nitrophenol formation from 4-nitrophenyl butyrate substrate preincubated for 30 mi...


Bioorg Med Chem 25: 609-620 (2017)


Article DOI: 10.1016/j.bmc.2016.11.031
BindingDB Entry DOI: 10.7270/Q2J968C6
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50207393
PNG
(CHEMBL3905980)
Show SMILES Clc1ccc(Cn2c3ccccc3c3cc(ccc23)C(=O)C(=O)Nc2ccncc2)cc1
Show InChI InChI=1S/C26H18ClN3O2/c27-19-8-5-17(6-9-19)16-30-23-4-2-1-3-21(23)22-15-18(7-10-24(22)30)25(31)26(32)29-20-11-13-28-14-12-20/h1-15H,16H2,(H,28,29,32)
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n/an/a 1.99E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science Pilani (Pilani Campus)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase assessed as reduction in 4-nitrophenol formation from 4-nitrophenyl butyrate substrate preincubated for 30 mi...


Bioorg Med Chem 25: 609-620 (2017)


Article DOI: 10.1016/j.bmc.2016.11.031
BindingDB Entry DOI: 10.7270/Q2J968C6
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50207378
PNG
(CHEMBL3977704)
Show SMILES Clc1ccc(Cn2c3ccccc3c3cc(ccc23)C(=O)C(=O)Nc2ccc3ncccc3c2)cc1
Show InChI InChI=1S/C30H20ClN3O2/c31-22-10-7-19(8-11-22)18-34-27-6-2-1-5-24(27)25-17-21(9-14-28(25)34)29(35)30(36)33-23-12-13-26-20(16-23)4-3-15-32-26/h1-17H,18H2,(H,33,36)
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n/an/a 2.31E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science Pilani (Pilani Campus)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase assessed as reduction in 4-nitrophenol formation from 4-nitrophenyl butyrate substrate preincubated for 30 mi...


Bioorg Med Chem 25: 609-620 (2017)


Article DOI: 10.1016/j.bmc.2016.11.031
BindingDB Entry DOI: 10.7270/Q2J968C6
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50207387
PNG
(CHEMBL3897958)
Show SMILES COc1cc(NC(=O)C(=O)c2ccc3n(C)c4ccccc4c3c2)cc(OC)c1OC
Show InChI InChI=1S/C24H22N2O5/c1-26-18-8-6-5-7-16(18)17-11-14(9-10-19(17)26)22(27)24(28)25-15-12-20(29-2)23(31-4)21(13-15)30-3/h5-13H,1-4H3,(H,25,28)
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n/an/a 2.31E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science Pilani (Pilani Campus)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase assessed as reduction in 4-nitrophenol formation from 4-nitrophenyl butyrate substrate preincubated for 30 mi...


Bioorg Med Chem 25: 609-620 (2017)


Article DOI: 10.1016/j.bmc.2016.11.031
BindingDB Entry DOI: 10.7270/Q2J968C6
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50207396
PNG
(CHEMBL3977167)
Show SMILES CCn1c2ccccc2c2cc(ccc12)C(=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H18N2O2/c1-2-24-19-11-7-6-10-17(19)18-14-15(12-13-20(18)24)21(25)22(26)23-16-8-4-3-5-9-16/h3-14H,2H2,1H3,(H,23,26)
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n/an/a 2.42E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science Pilani (Pilani Campus)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase assessed as reduction in 4-nitrophenol formation from 4-nitrophenyl butyrate substrate preincubated for 30 mi...


Bioorg Med Chem 25: 609-620 (2017)


Article DOI: 10.1016/j.bmc.2016.11.031
BindingDB Entry DOI: 10.7270/Q2J968C6
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50207382
PNG
(CHEMBL3945483)
Show SMILES COc1cccc(NC(=O)C(=O)c2ccc3n(Cc4ccc(Cl)cc4)c4ccccc4c3c2)c1
Show InChI InChI=1S/C28H21ClN2O3/c1-34-22-6-4-5-21(16-22)30-28(33)27(32)19-11-14-26-24(15-19)23-7-2-3-8-25(23)31(26)17-18-9-12-20(29)13-10-18/h2-16H,17H2,1H3,(H,30,33)
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n/an/a 2.66E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science Pilani (Pilani Campus)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase assessed as reduction in 4-nitrophenol formation from 4-nitrophenyl butyrate substrate preincubated for 30 mi...


Bioorg Med Chem 25: 609-620 (2017)


Article DOI: 10.1016/j.bmc.2016.11.031
BindingDB Entry DOI: 10.7270/Q2J968C6
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50207380
PNG
(CHEMBL3931968)
Show SMILES Fc1ccc(NC(=O)C(=O)c2ccc3n(Cc4ccc(Cl)cc4)c4ccccc4c3c2)cc1
Show InChI InChI=1S/C27H18ClFN2O2/c28-19-8-5-17(6-9-19)16-31-24-4-2-1-3-22(24)23-15-18(7-14-25(23)31)26(32)27(33)30-21-12-10-20(29)11-13-21/h1-15H,16H2,(H,30,33)
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n/an/a 2.80E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science Pilani (Pilani Campus)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase assessed as reduction in 4-nitrophenol formation from 4-nitrophenyl butyrate substrate preincubated for 30 mi...


Bioorg Med Chem 25: 609-620 (2017)


Article DOI: 10.1016/j.bmc.2016.11.031
BindingDB Entry DOI: 10.7270/Q2J968C6
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50207375
PNG
(CHEMBL3982037)
Show SMILES O=C(Nc1ccncc1)C(=O)c1ccc2[nH]c3ccccc3c2c1
Show InChI InChI=1S/C19H13N3O2/c23-18(19(24)21-13-7-9-20-10-8-13)12-5-6-17-15(11-12)14-3-1-2-4-16(14)22-17/h1-11,22H,(H,20,21,24)
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n/an/a 2.94E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science Pilani (Pilani Campus)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase assessed as reduction in 4-nitrophenol formation from 4-nitrophenyl butyrate substrate preincubated for 30 mi...


Bioorg Med Chem 25: 609-620 (2017)


Article DOI: 10.1016/j.bmc.2016.11.031
BindingDB Entry DOI: 10.7270/Q2J968C6
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50207389
PNG
(CHEMBL3985837)
Show SMILES O=C(Nc1ccccc1)C(=O)c1ccc2[nH]c3ccccc3c2c1
Show InChI InChI=1S/C20H14N2O2/c23-19(20(24)21-14-6-2-1-3-7-14)13-10-11-18-16(12-13)15-8-4-5-9-17(15)22-18/h1-12,22H,(H,21,24)
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n/an/a 2.97E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science Pilani (Pilani Campus)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase assessed as reduction in 4-nitrophenol formation from 4-nitrophenyl butyrate substrate preincubated for 30 mi...


Bioorg Med Chem 25: 609-620 (2017)


Article DOI: 10.1016/j.bmc.2016.11.031
BindingDB Entry DOI: 10.7270/Q2J968C6
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50207377
PNG
(CHEMBL3911394)
Show SMILES Cc1cnc(NC(=O)C(=O)c2ccc3n(Cc4ccc(Cl)cc4)c4ccccc4c3c2)s1
Show InChI InChI=1S/C25H18ClN3O2S/c1-15-13-27-25(32-15)28-24(31)23(30)17-8-11-22-20(12-17)19-4-2-3-5-21(19)29(22)14-16-6-9-18(26)10-7-16/h2-13H,14H2,1H3,(H,27,28,31)
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n/an/a 3.28E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science Pilani (Pilani Campus)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase assessed as reduction in 4-nitrophenol formation from 4-nitrophenyl butyrate substrate preincubated for 30 mi...


Bioorg Med Chem 25: 609-620 (2017)


Article DOI: 10.1016/j.bmc.2016.11.031
BindingDB Entry DOI: 10.7270/Q2J968C6
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50207392
PNG
(CHEMBL3957164)
Show SMILES COc1cccc(NC(=O)C(=O)c2ccc3[nH]c4ccccc4c3c2)c1
Show InChI InChI=1S/C21H16N2O3/c1-26-15-6-4-5-14(12-15)22-21(25)20(24)13-9-10-19-17(11-13)16-7-2-3-8-18(16)23-19/h2-12,23H,1H3,(H,22,25)
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n/an/a 3.30E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science Pilani (Pilani Campus)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase assessed as reduction in 4-nitrophenol formation from 4-nitrophenyl butyrate substrate preincubated for 30 mi...


Bioorg Med Chem 25: 609-620 (2017)


Article DOI: 10.1016/j.bmc.2016.11.031
BindingDB Entry DOI: 10.7270/Q2J968C6
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50207391
PNG
(CHEMBL3966764)
Show SMILES Cn1c2ccccc2c2cc(ccc12)C(=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C21H16N2O2/c1-23-18-10-6-5-9-16(18)17-13-14(11-12-19(17)23)20(24)21(25)22-15-7-3-2-4-8-15/h2-13H,1H3,(H,22,25)
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n/an/a 3.62E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science Pilani (Pilani Campus)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase assessed as reduction in 4-nitrophenol formation from 4-nitrophenyl butyrate substrate preincubated for 30 mi...


Bioorg Med Chem 25: 609-620 (2017)


Article DOI: 10.1016/j.bmc.2016.11.031
BindingDB Entry DOI: 10.7270/Q2J968C6
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50207372
PNG
(CHEMBL3948881)
Show SMILES COc1ccc(NC(=O)C(=O)c2ccc3[nH]c4ccccc4c3c2)cc1OC
Show InChI InChI=1S/C22H18N2O4/c1-27-19-10-8-14(12-20(19)28-2)23-22(26)21(25)13-7-9-18-16(11-13)15-5-3-4-6-17(15)24-18/h3-12,24H,1-2H3,(H,23,26)
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n/an/a 4.41E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science Pilani (Pilani Campus)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase assessed as reduction in 4-nitrophenol formation from 4-nitrophenyl butyrate substrate preincubated for 30 mi...


Bioorg Med Chem 25: 609-620 (2017)


Article DOI: 10.1016/j.bmc.2016.11.031
BindingDB Entry DOI: 10.7270/Q2J968C6
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50207374
PNG
(CHEMBL3915474)
Show SMILES CCn1c2ccccc2c2cc(ccc12)C(=O)C(=O)Nc1ccc(cc1)N(C)C
Show InChI InChI=1S/C24H23N3O2/c1-4-27-21-8-6-5-7-19(21)20-15-16(9-14-22(20)27)23(28)24(29)25-17-10-12-18(13-11-17)26(2)3/h5-15H,4H2,1-3H3,(H,25,29)
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n/an/a 5.62E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science Pilani (Pilani Campus)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase assessed as reduction in 4-nitrophenol formation from 4-nitrophenyl butyrate substrate preincubated for 30 mi...


Bioorg Med Chem 25: 609-620 (2017)


Article DOI: 10.1016/j.bmc.2016.11.031
BindingDB Entry DOI: 10.7270/Q2J968C6
More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens)
BDBM50207384
PNG
(KOENIMBINE | Koenimbine)
Show SMILES COc1ccc2[nH]c3c4C=CC(C)(C)Oc4c(C)cc3c2c1
Show InChI InChI=1S/C19H19NO2/c1-11-9-15-14-10-12(21-4)5-6-16(14)20-17(15)13-7-8-19(2,3)22-18(11)13/h5-10,20H,1-4H3
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n/an/a 1.69E+5n/an/an/an/an/an/a



Birla Institute of Technology and Science Pilani (Pilani Campus)

Curated by ChEMBL


Assay Description
Inhibition of pancreatic lipase (unknown origin)


Bioorg Med Chem 25: 609-620 (2017)


Article DOI: 10.1016/j.bmc.2016.11.031
BindingDB Entry DOI: 10.7270/Q2J968C6
More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens)
BDBM50207383
PNG
(CHEMBL3893262)
Show SMILES COc1cc2[nH]c3c4C=CC(C)(C)Oc4c(C)cc3c2cc1OC
Show InChI InChI=1S/C20H21NO3/c1-11-8-14-13-9-16(22-4)17(23-5)10-15(13)21-18(14)12-6-7-20(2,3)24-19(11)12/h6-10,21H,1-5H3
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n/an/a 4.29E+5n/an/an/an/an/an/a



Birla Institute of Technology and Science Pilani (Pilani Campus)

Curated by ChEMBL


Assay Description
Inhibition of pancreatic lipase (unknown origin)


Bioorg Med Chem 25: 609-620 (2017)


Article DOI: 10.1016/j.bmc.2016.11.031
BindingDB Entry DOI: 10.7270/Q2J968C6
More data for this
Ligand-Target Pair