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Compile Data Set for Download or QSAR

Found 193 hits with Last Name = 'clairmont' and Initial = 'kb'   
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
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147315
PNG
(2-(4-(3-fluorophenyl)piperidine-1-carbonyl)-4-(2-m...)
Show SMILES COCCc1c(C)n(oc1=O)C(=O)N1CCC(CC1)c1cccc(F)c1
Show InChI InChI=1S/C19H23FN2O4/c1-13-17(8-11-25-2)18(23)26-22(13)19(24)21-9-6-14(7-10-21)15-4-3-5-16(20)12-15/h3-5,12,14H,6-11H2,1-2H3
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n/an/a 0.200n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147297
PNG
(4-Isopropyl-2-[4-(3-methoxy-phenyl)-piperazine-1-c...)
Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)n1oc(=O)c(C(C)C)c1C
Show InChI InChI=1S/C19H25N3O4/c1-13(2)17-14(3)22(26-18(17)23)19(24)21-10-8-20(9-11-21)15-6-5-7-16(12-15)25-4/h5-7,12-13H,8-11H2,1-4H3
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n/an/a 1n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147299
PNG
(4-Butyl-3-methyl-2-(4-methyl-piperidine-1-carbonyl...)
Show SMILES CCCCc1c(C)n(oc1=O)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C15H24N2O3/c1-4-5-6-13-12(3)17(20-14(13)18)15(19)16-9-7-11(2)8-10-16/h11H,4-10H2,1-3H3
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n/an/a 1n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147270
PNG
(3-Methyl-4-(2-phenoxy-ethyl)-2-(piperidine-1-carbo...)
Show SMILES Cc1c(CCOc2ccccc2)c(=O)on1C(=O)N1CCCCC1
Show InChI InChI=1S/C18H22N2O4/c1-14-16(10-13-23-15-8-4-2-5-9-15)17(21)24-20(14)18(22)19-11-6-3-7-12-19/h2,4-5,8-9H,3,6-7,10-13H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147251
PNG
(4-Isopropyl-3-methyl-5-oxo-5H-isoxazole-2-carboxyl...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N(C)Cc1cccs1
Show InChI InChI=1S/C14H18N2O3S/c1-9(2)12-10(3)16(19-13(12)17)14(18)15(4)8-11-6-5-7-20-11/h5-7,9H,8H2,1-4H3
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n/an/a 2n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147243
PNG
(4-Isopropyl-3-methyl-2-(piperidine-1-carbonyl)-2H-...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCCCC1
Show InChI InChI=1S/C13H20N2O3/c1-9(2)11-10(3)15(18-12(11)16)13(17)14-7-5-4-6-8-14/h9H,4-8H2,1-3H3
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n/an/a 2n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147281
PNG
(4-Isobutyl-3-methyl-2-(4-methyl-piperidine-1-carbo...)
Show SMILES CC(C)Cc1c(C)n(oc1=O)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C15H24N2O3/c1-10(2)9-13-12(4)17(20-14(13)18)15(19)16-7-5-11(3)6-8-16/h10-11H,5-9H2,1-4H3
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n/an/a 3n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147251
PNG
(4-Isopropyl-3-methyl-5-oxo-5H-isoxazole-2-carboxyl...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N(C)Cc1cccs1
Show InChI InChI=1S/C14H18N2O3S/c1-9(2)12-10(3)16(19-13(12)17)14(18)15(4)8-11-6-5-7-20-11/h5-7,9H,8H2,1-4H3
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n/an/a 3n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50200209
PNG
(CHEMBL219499)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wU:4.4,121.124,63.64,139.142,12.16,152.155,81.83,168.171,189.193,98.100,48.49,202.207,26.26,49.52,214.218,wD:110.113,55.56,130.133,2.2,69.70,147.151,37.37,159.162,177.180,87.89,197.202,20.22,207.211,(-37.66,-5.64,;-37.66,-7.18,;-36.32,-7.95,;-34.99,-7.18,;-36.32,-9.49,;-37.66,-10.26,;-38.99,-9.49,;-38.99,-7.95,;-40.33,-10.26,;-41.67,-9.49,;-42.98,-10.26,;-42.98,-11.8,;-44.32,-9.49,;-44.32,-7.95,;-42.98,-7.18,;-41.65,-7.94,;-42.99,-5.63,;-45.66,-10.26,;-46.99,-9.49,;-46.99,-7.95,;-48.33,-10.26,;-48.33,-11.8,;-46.99,-12.57,;-49.66,-9.49,;-51,-10.26,;-51,-11.8,;-52.33,-9.49,;-53.65,-10.26,;-52.33,-7.95,;-51,-7.18,;-49.53,-7.67,;-48.61,-6.44,;-49.49,-5.18,;-50.96,-5.63,;-34.99,-10.26,;-34.99,-11.8,;-33.65,-9.49,;-32.32,-10.26,;-32.32,-11.8,;-30.98,-12.57,;-30.99,-14.11,;-29.65,-14.88,;-28.32,-14.11,;-28.33,-12.56,;-29.66,-11.8,;-30.98,-9.49,;-30.98,-7.95,;-29.66,-10.26,;-28.33,-9.49,;-28.33,-7.95,;-29.66,-7.18,;-26.99,-7.18,;-26.99,-10.26,;-26.99,-11.8,;-25.65,-9.49,;-24.32,-10.26,;-24.32,-11.8,;-22.98,-12.57,;-22.99,-14.11,;-21.65,-11.8,;-22.98,-9.49,;-22.98,-7.95,;-21.65,-10.26,;-20.31,-9.49,;-20.31,-7.95,;-18.99,-7.18,;-18.99,-10.26,;-18.99,-11.8,;-17.66,-9.49,;-16.32,-10.26,;-16.32,-11.8,;-14.99,-12.57,;-14.99,-14.11,;-13.66,-14.88,;-12.32,-14.11,;-10.98,-14.88,;-12.33,-12.56,;-13.65,-11.8,;-14.99,-9.49,;-14.99,-7.95,;-13.65,-10.26,;-12.31,-9.49,;-12.31,-7.95,;-10.97,-7.18,;-10.97,-10.26,;-10.97,-11.8,;-9.64,-9.49,;-8.31,-10.26,;-8.31,-11.8,;-6.97,-12.57,;-6.97,-14.11,;-5.64,-14.88,;-5.64,-16.42,;-4.31,-17.19,;-6.97,-17.19,;-6.97,-9.49,;-6.97,-7.95,;-5.64,-10.26,;-4.31,-9.49,;-4.31,-7.95,;-2.97,-7.18,;-1.64,-7.96,;-.31,-7.19,;-.31,-5.65,;1.02,-4.88,;-1.65,-4.88,;-2.98,-5.65,;-2.97,-10.26,;-2.97,-11.8,;-1.64,-9.49,;-.3,-10.26,;-.3,-11.8,;1.03,-12.57,;1.03,-14.11,;2.36,-14.88,;2.36,-16.42,;3.7,-17.19,;1.03,-17.19,;1.03,-9.49,;1.03,-7.95,;2.36,-10.26,;3.7,-9.49,;3.7,-7.95,;5.03,-7.18,;5.03,-5.64,;6.36,-4.87,;6.36,-3.33,;5.03,-10.26,;5.03,-11.8,;6.36,-9.49,;7.7,-10.26,;7.7,-11.8,;9.03,-12.57,;9.03,-14.11,;7.7,-14.88,;10.36,-14.88,;9.03,-9.49,;9.03,-7.95,;10.36,-10.26,;11.7,-9.49,;11.7,-7.95,;13.03,-7.18,;13.03,-5.64,;14.37,-4.87,;13.03,-10.26,;13.03,-11.8,;14.37,-9.49,;15.7,-10.26,;15.7,-11.8,;17.03,-9.49,;17.03,-7.95,;18.37,-10.26,;19.7,-9.49,;19.7,-7.95,;21.03,-7.18,;18.37,-7.18,;21.03,-10.26,;21.03,-11.8,;22.37,-9.49,;23.7,-10.26,;23.7,-11.8,;25.04,-12.57,;25.04,-14.11,;26.37,-14.88,;26.37,-16.42,;25.04,-9.49,;25.04,-7.95,;26.37,-10.26,;27.7,-9.49,;27.7,-7.95,;29.04,-7.18,;29.04,-5.64,;30.37,-4.87,;30.37,-3.33,;29.04,-10.26,;29.04,-11.8,;30.37,-9.49,;31.7,-10.26,;31.7,-11.8,;33.04,-12.57,;33.03,-14.11,;34.36,-14.88,;35.7,-14.11,;37.03,-14.88,;35.69,-12.56,;34.37,-11.8,;33.04,-9.49,;33.04,-7.95,;34.37,-10.26,;35.7,-9.49,;35.7,-7.95,;37.04,-7.18,;37.04,-5.64,;38.37,-7.95,;37.04,-10.26,;37.04,-11.8,;38.37,-9.49,;39.71,-10.26,;39.71,-11.8,;41.04,-9.49,;41.04,-7.95,;42.37,-10.26,;43.71,-9.49,;43.71,-7.95,;45.04,-10.26,;45.04,-11.8,;46.37,-9.49,;47.71,-10.26,;47.71,-11.8,;46.37,-12.57,;49.04,-12.57,;49.04,-9.49,;49.04,-7.95,;50.37,-10.26,;51.71,-9.49,;51.71,-7.95,;53.04,-7.18,;53.04,-5.64,;54.38,-7.95,;53.04,-10.26,;54.38,-9.49,;53.04,-11.8,)|
Show InChI InChI=1S/C142H223N39O40S/c1-16-75(10)113(178-108(190)66-155-119(199)101(63-109(191)192)171-134(214)104(67-182)175-118(198)88(146)62-84-65-152-70-156-84)138(218)172-100(58-80-28-18-17-19-29-80)132(212)181-114(79(14)185)139(219)173-102(64-110(193)194)131(211)177-106(69-184)135(215)170-99(61-83-39-45-87(188)46-40-83)130(210)176-105(68-183)133(213)163-93(34-27-54-154-142(150)151)125(205)168-97(59-81-35-41-85(186)42-36-81)128(208)162-92(33-26-53-153-141(148)149)123(203)160-89(30-20-23-50-143)121(201)164-94(47-48-107(147)189)126(206)165-95(49-55-222-15)120(200)158-78(13)117(197)179-111(73(6)7)136(216)166-91(32-22-25-52-145)122(202)161-90(31-21-24-51-144)124(204)169-98(60-82-37-43-86(187)44-38-82)129(209)167-96(56-71(2)3)127(207)159-76(11)115(195)157-77(12)116(196)180-112(74(8)9)137(217)174-103(140(220)221)57-72(4)5/h17-19,28-29,35-46,65,70-79,88-106,111-114,182-188H,16,20-27,30-34,47-64,66-69,143-146H2,1-15H3,(H2,147,189)(H,152,156)(H,155,199)(H,157,195)(H,158,200)(H,159,207)(H,160,203)(H,161,202)(H,162,208)(H,163,213)(H,164,201)(H,165,206)(H,166,216)(H,167,209)(H,168,205)(H,169,204)(H,170,215)(H,171,214)(H,172,218)(H,173,219)(H,174,217)(H,175,198)(H,176,210)(H,177,211)(H,178,190)(H,179,197)(H,180,196)(H,181,212)(H,191,192)(H,193,194)(H,220,221)(H4,148,149,153)(H4,150,151,154)/t75-,76-,77-,78-,79+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,111-,112-,113-,114-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]PACAP27 from human PAC1 receptor expressed in CHO cells


J Med Chem 49: 7545-8 (2006)


Article DOI: 10.1021/jm0609059
BindingDB Entry DOI: 10.7270/Q2VD708R
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147257
PNG
(4-(2-Ethoxy-ethyl)-3-methyl-2-(4-methyl-piperidine...)
Show SMILES CCOCCc1c(C)n(oc1=O)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C15H24N2O4/c1-4-20-10-7-13-12(3)17(21-14(13)18)15(19)16-8-5-11(2)6-9-16/h11H,4-10H2,1-3H3
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n/an/a 3n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
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 |r|
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 3n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147241
PNG
(4-Isopropyl-3-methyl-5-oxo-5H-isoxazole-2-carboxyl...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N(C)Cc1ccco1
Show InChI InChI=1S/C14H18N2O4/c1-9(2)12-10(3)16(20-13(12)17)14(18)15(4)8-11-6-5-7-19-11/h5-7,9H,8H2,1-4H3
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n/an/a 4n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147245
PNG
(4-Isobutyl-3-methyl-2-(4-phenyl-piperidine-1-carbo...)
Show SMILES CC(C)Cc1c(C)n(oc1=O)C(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C20H26N2O3/c1-14(2)13-18-15(3)22(25-19(18)23)20(24)21-11-9-17(10-12-21)16-7-5-4-6-8-16/h4-8,14,17H,9-13H2,1-3H3
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n/an/a 4n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147279
PNG
(4-Isopropyl-3-methyl-5-oxo-5H-isoxazole-2-carboxyl...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N(C)Cc1ccccc1F
Show InChI InChI=1S/C16H19FN2O3/c1-10(2)14-11(3)19(22-15(14)20)16(21)18(4)9-12-7-5-6-8-13(12)17/h5-8,10H,9H2,1-4H3
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n/an/a 4n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147270
PNG
(3-Methyl-4-(2-phenoxy-ethyl)-2-(piperidine-1-carbo...)
Show SMILES Cc1c(CCOc2ccccc2)c(=O)on1C(=O)N1CCCCC1
Show InChI InChI=1S/C18H22N2O4/c1-14-16(10-13-23-15-8-4-2-5-9-15)17(21)24-20(14)18(22)19-11-6-3-7-12-19/h2,4-5,8-9H,3,6-7,10-13H2,1H3
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n/an/a 4n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147272
PNG
(4-(2-Methoxy-ethyl)-3-methyl-2-(4-m-tolyl-piperidi...)
Show SMILES COCCc1c(C)n(oc1=O)C(=O)N1CCC(CC1)c1cccc(C)c1
Show InChI InChI=1S/C20H26N2O4/c1-14-5-4-6-17(13-14)16-7-10-21(11-8-16)20(24)22-15(2)18(9-12-25-3)19(23)26-22/h4-6,13,16H,7-12H2,1-3H3
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n/an/a 4n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147267
PNG
(4-Cyclohexyl-3-methyl-2-(4-methyl-piperidine-1-car...)
Show SMILES CC1CCN(CC1)C(=O)n1oc(=O)c(C2CCCCC2)c1C
Show InChI InChI=1S/C17H26N2O3/c1-12-8-10-18(11-9-12)17(21)19-13(2)15(16(20)22-19)14-6-4-3-5-7-14/h12,14H,3-11H2,1-2H3
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n/an/a 4n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147253
PNG
(2-(4-(3-fluorophenyl)piperidine-1-carbonyl)-4-isop...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCC(CC1)c1cccc(F)c1
Show InChI InChI=1S/C19H23FN2O3/c1-12(2)17-13(3)22(25-18(17)23)19(24)21-9-7-14(8-10-21)15-5-4-6-16(20)11-15/h4-6,11-12,14H,7-10H2,1-3H3
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n/an/a 4n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147303
PNG
(4-Benzyl-3-methyl-2-(piperidine-1-carbonyl)-2H-iso...)
Show SMILES Cc1c(Cc2ccccc2)c(=O)on1C(=O)N1CCCCC1
Show InChI InChI=1S/C17H20N2O3/c1-13-15(12-14-8-4-2-5-9-14)16(20)22-19(13)17(21)18-10-6-3-7-11-18/h2,4-5,8-9H,3,6-7,10-12H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147289
PNG
(4-Isobutyl-3-methyl-2-(piperidine-1-carbonyl)-2H-i...)
Show SMILES CC(C)Cc1c(C)n(oc1=O)C(=O)N1CCCCC1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)9-12-11(3)16(19-13(12)17)14(18)15-7-5-4-6-8-15/h10H,4-9H2,1-3H3
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n/an/a 5n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147260
PNG
(4-Isopropyl-3-methyl-5-oxo-5H-isoxazole-2-carboxyl...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C16H20N2O3/c1-11(2)14-12(3)18(21-15(14)19)16(20)17(4)10-13-8-6-5-7-9-13/h5-9,11H,10H2,1-4H3
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n/an/a 5n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147298
PNG
(4-Isopropyl-3-methyl-5-oxo-5H-isoxazole-2-carboxyl...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N(C)Cc1cccc(F)c1
Show InChI InChI=1S/C16H19FN2O3/c1-10(2)14-11(3)19(22-15(14)20)16(21)18(4)9-12-6-5-7-13(17)8-12/h5-8,10H,9H2,1-4H3
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n/an/a 5n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147248
PNG
(4-(2-Methoxy-ethyl)-3-methyl-2-(4-phenyl-piperidin...)
Show SMILES COCCc1c(C)n(oc1=O)C(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C19H24N2O4/c1-14-17(10-13-24-2)18(22)25-21(14)19(23)20-11-8-16(9-12-20)15-6-4-3-5-7-15/h3-7,16H,8-13H2,1-2H3
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n/an/a 5n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147280
PNG
(3-Methyl-2-(4-methyl-piperidine-1-carbonyl)-4-(tet...)
Show SMILES CC1CCN(CC1)C(=O)n1oc(=O)c(C2CCSCC2)c1C
Show InChI InChI=1S/C16H24N2O3S/c1-11-3-7-17(8-4-11)16(20)18-12(2)14(15(19)21-18)13-5-9-22-10-6-13/h11,13H,3-10H2,1-2H3
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n/an/a 6n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147283
PNG
(4-Isopropyl-3-methyl-2-(4-methyl-piperidine-1-carb...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C14H22N2O3/c1-9(2)12-11(4)16(19-13(12)17)14(18)15-7-5-10(3)6-8-15/h9-10H,5-8H2,1-4H3
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n/an/a 6n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147234
PNG
(4-Isopropyl-3-methyl-2-(4-phenyl-piperazine-1-carb...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C18H23N3O3/c1-13(2)16-14(3)21(24-17(16)22)18(23)20-11-9-19(10-12-20)15-7-5-4-6-8-15/h4-8,13H,9-12H2,1-3H3
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n/an/a 6n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147282
PNG
(3-Methyl-4-phenylsulfanyl-2-(piperidine-1-carbonyl...)
Show SMILES Cc1c(Sc2ccccc2)c(=O)on1C(=O)N1CCCCC1
Show InChI InChI=1S/C16H18N2O3S/c1-12-14(22-13-8-4-2-5-9-13)15(19)21-18(12)16(20)17-10-6-3-7-11-17/h2,4-5,8-9H,3,6-7,10-11H2,1H3
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n/an/a 6n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147244
PNG
(1-(4-Isopropyl-3-methyl-5-oxo-5H-isoxazole-2-carbo...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)n1oc(=O)c(C(C)C)c1C
Show InChI InChI=1S/C16H24N2O5/c1-5-22-14(19)12-6-8-17(9-7-12)16(21)18-11(4)13(10(2)3)15(20)23-18/h10,12H,5-9H2,1-4H3
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n/an/a 6n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147276
PNG
(4-Cyclopentyl-3-methyl-2-(piperidine-1-carbonyl)-2...)
Show SMILES Cc1c(C2CCCC2)c(=O)on1C(=O)N1CCCCC1
Show InChI InChI=1S/C15H22N2O3/c1-11-13(12-7-3-4-8-12)14(18)20-17(11)15(19)16-9-5-2-6-10-16/h12H,2-10H2,1H3
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n/an/a 6n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147300
PNG
(4-(4-Chloro-phenylsulfanyl)-3-methyl-2-(piperidine...)
Show SMILES Cc1c(Sc2ccc(Cl)cc2)c(=O)on1C(=O)N1CCCCC1
Show InChI InChI=1S/C16H17ClN2O3S/c1-11-14(23-13-7-5-12(17)6-8-13)15(20)22-19(11)16(21)18-9-3-2-4-10-18/h5-8H,2-4,9-10H2,1H3
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n/an/a 6n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147271
PNG
(4-Isopropyl-3-methyl-5-oxo-5H-isoxazole-2-carboxyl...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N(C)c1ccccc1
Show InChI InChI=1S/C15H18N2O3/c1-10(2)13-11(3)17(20-14(13)18)15(19)16(4)12-8-6-5-7-9-12/h5-10H,1-4H3
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n/an/a 7n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147296
PNG
(4-Butyl-3-methyl-2-(piperidine-1-carbonyl)-2H-isox...)
Show SMILES CCCCc1c(C)n(oc1=O)C(=O)N1CCCCC1
Show InChI InChI=1S/C14H22N2O3/c1-3-4-8-12-11(2)16(19-13(12)17)14(18)15-9-6-5-7-10-15/h3-10H2,1-2H3
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n/an/a 7n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147269
PNG
(2-(3,3-Dimethyl-piperidine-1-carbonyl)-4-isopropyl...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCCC(C)(C)C1
Show InChI InChI=1S/C15H24N2O3/c1-10(2)12-11(3)17(20-13(12)18)14(19)16-8-6-7-15(4,5)9-16/h10H,6-9H2,1-5H3
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n/an/a 7n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147262
PNG
(4-Isopropyl-3-methyl-2-(thiomorpholine-4-carbonyl)...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCSCC1
Show InChI InChI=1S/C12H18N2O3S/c1-8(2)10-9(3)14(17-11(10)15)12(16)13-4-6-18-7-5-13/h8H,4-7H2,1-3H3
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n/an/a 8n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147259
PNG
(4-Cyclopentyl-3-methyl-2-(4-phenyl-piperidine-1-ca...)
Show SMILES Cc1c(C2CCCC2)c(=O)on1C(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H26N2O3/c1-15-19(18-9-5-6-10-18)20(24)26-23(15)21(25)22-13-11-17(12-14-22)16-7-3-2-4-8-16/h2-4,7-8,17-18H,5-6,9-14H2,1H3
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n/an/a 8n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147263
PNG
(4-Isopropyl-3-methyl-5-oxo-5H-isoxazole-2-carboxyl...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N(C)C1CCCCC1
Show InChI InChI=1S/C15H24N2O3/c1-10(2)13-11(3)17(20-14(13)18)15(19)16(4)12-8-6-5-7-9-12/h10,12H,5-9H2,1-4H3
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n/an/a 9n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147241
PNG
(4-Isopropyl-3-methyl-5-oxo-5H-isoxazole-2-carboxyl...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N(C)Cc1ccco1
Show InChI InChI=1S/C14H18N2O4/c1-9(2)12-10(3)16(20-13(12)17)14(18)15(4)8-11-6-5-7-19-11/h5-7,9H,8H2,1-4H3
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n/an/a 9n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147245
PNG
(4-Isobutyl-3-methyl-2-(4-phenyl-piperidine-1-carbo...)
Show SMILES CC(C)Cc1c(C)n(oc1=O)C(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C20H26N2O3/c1-14(2)13-18-15(3)22(25-19(18)23)20(24)21-11-9-17(10-12-21)16-7-5-4-6-8-16/h4-8,14,17H,9-13H2,1-3H3
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n/an/a 10n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50239481
PNG
(CHEMBL4061308)
Show SMILES COc1ccc(cc1)-c1nnc(o1)-c1ccc2nc([nH]c2c1)-c1c(C)cc(CCC(O)=O)cc1C
Show InChI InChI=1S/C27H24N4O4/c1-15-12-17(4-11-23(32)33)13-16(2)24(15)25-28-21-10-7-19(14-22(21)29-25)27-31-30-26(35-27)18-5-8-20(34-3)9-6-18/h5-10,12-14H,4,11H2,1-3H3,(H,28,29)(H,32,33)
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n/an/a 10n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged DGAT1 expressed in Sf9 insect cell membranes assessed as inhibition of triglyceride formation using diole...


J Med Chem 60: 4657-4664 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147279
PNG
(4-Isopropyl-3-methyl-5-oxo-5H-isoxazole-2-carboxyl...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N(C)Cc1ccccc1F
Show InChI InChI=1S/C16H19FN2O3/c1-10(2)14-11(3)19(22-15(14)20)16(21)18(4)9-12-7-5-6-8-13(12)17/h5-8,10H,9H2,1-4H3
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n/an/a 10n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147285
PNG
(4-(2-Methoxy-ethyl)-3-methyl-2-(piperidine-1-carbo...)
Show SMILES COCCc1c(C)n(oc1=O)C(=O)N1CCCCC1
Show InChI InChI=1S/C13H20N2O4/c1-10-11(6-9-18-2)12(16)19-15(10)13(17)14-7-4-3-5-8-14/h3-9H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147299
PNG
(4-Butyl-3-methyl-2-(4-methyl-piperidine-1-carbonyl...)
Show SMILES CCCCc1c(C)n(oc1=O)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C15H24N2O3/c1-4-5-6-13-12(3)17(20-14(13)18)15(19)16-9-7-11(2)8-10-16/h11H,4-10H2,1-3H3
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n/an/a 10n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147248
PNG
(4-(2-Methoxy-ethyl)-3-methyl-2-(4-phenyl-piperidin...)
Show SMILES COCCc1c(C)n(oc1=O)C(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C19H24N2O4/c1-14-17(10-13-24-2)18(22)25-21(14)19(23)20-11-8-16(9-12-20)15-6-4-3-5-7-15/h3-7,16H,8-13H2,1-2H3
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n/an/a 11n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147264
PNG
(4-Cyclohexyl-3-methyl-2-(piperidine-1-carbonyl)-2H...)
Show SMILES Cc1c(C2CCCCC2)c(=O)on1C(=O)N1CCCCC1
Show InChI InChI=1S/C16H24N2O3/c1-12-14(13-8-4-2-5-9-13)15(19)21-18(12)16(20)17-10-6-3-7-11-17/h13H,2-11H2,1H3
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n/an/a 11n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147247
PNG
(3-Methyl-2-(piperidine-1-carbonyl)-4-(tetrahydro-t...)
Show SMILES Cc1c(C2CCSCC2)c(=O)on1C(=O)N1CCCCC1
Show InChI InChI=1S/C15H22N2O3S/c1-11-13(12-5-9-21-10-6-12)14(18)20-17(11)15(19)16-7-3-2-4-8-16/h12H,2-10H2,1H3
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n/an/a 11n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147253
PNG
(2-(4-(3-fluorophenyl)piperidine-1-carbonyl)-4-isop...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCC(CC1)c1cccc(F)c1
Show InChI InChI=1S/C19H23FN2O3/c1-12(2)17-13(3)22(25-18(17)23)19(24)21-9-7-14(8-10-21)15-5-4-6-16(20)11-15/h4-6,11-12,14H,7-10H2,1-3H3
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n/an/a 12n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147298
PNG
(4-Isopropyl-3-methyl-5-oxo-5H-isoxazole-2-carboxyl...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N(C)Cc1cccc(F)c1
Show InChI InChI=1S/C16H19FN2O3/c1-10(2)14-11(3)19(22-15(14)20)16(21)18(4)9-12-6-5-7-13(17)8-12/h5-8,10H,9H2,1-4H3
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n/an/a 12n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Vasoactive intestinal polypeptide receptor 1


(Homo sapiens (Human))
BDBM50200209
PNG
(CHEMBL219499)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wU:4.4,121.124,63.64,139.142,12.16,152.155,81.83,168.171,189.193,98.100,48.49,202.207,26.26,49.52,214.218,wD:110.113,55.56,130.133,2.2,69.70,147.151,37.37,159.162,177.180,87.89,197.202,20.22,207.211,(-37.66,-5.64,;-37.66,-7.18,;-36.32,-7.95,;-34.99,-7.18,;-36.32,-9.49,;-37.66,-10.26,;-38.99,-9.49,;-38.99,-7.95,;-40.33,-10.26,;-41.67,-9.49,;-42.98,-10.26,;-42.98,-11.8,;-44.32,-9.49,;-44.32,-7.95,;-42.98,-7.18,;-41.65,-7.94,;-42.99,-5.63,;-45.66,-10.26,;-46.99,-9.49,;-46.99,-7.95,;-48.33,-10.26,;-48.33,-11.8,;-46.99,-12.57,;-49.66,-9.49,;-51,-10.26,;-51,-11.8,;-52.33,-9.49,;-53.65,-10.26,;-52.33,-7.95,;-51,-7.18,;-49.53,-7.67,;-48.61,-6.44,;-49.49,-5.18,;-50.96,-5.63,;-34.99,-10.26,;-34.99,-11.8,;-33.65,-9.49,;-32.32,-10.26,;-32.32,-11.8,;-30.98,-12.57,;-30.99,-14.11,;-29.65,-14.88,;-28.32,-14.11,;-28.33,-12.56,;-29.66,-11.8,;-30.98,-9.49,;-30.98,-7.95,;-29.66,-10.26,;-28.33,-9.49,;-28.33,-7.95,;-29.66,-7.18,;-26.99,-7.18,;-26.99,-10.26,;-26.99,-11.8,;-25.65,-9.49,;-24.32,-10.26,;-24.32,-11.8,;-22.98,-12.57,;-22.99,-14.11,;-21.65,-11.8,;-22.98,-9.49,;-22.98,-7.95,;-21.65,-10.26,;-20.31,-9.49,;-20.31,-7.95,;-18.99,-7.18,;-18.99,-10.26,;-18.99,-11.8,;-17.66,-9.49,;-16.32,-10.26,;-16.32,-11.8,;-14.99,-12.57,;-14.99,-14.11,;-13.66,-14.88,;-12.32,-14.11,;-10.98,-14.88,;-12.33,-12.56,;-13.65,-11.8,;-14.99,-9.49,;-14.99,-7.95,;-13.65,-10.26,;-12.31,-9.49,;-12.31,-7.95,;-10.97,-7.18,;-10.97,-10.26,;-10.97,-11.8,;-9.64,-9.49,;-8.31,-10.26,;-8.31,-11.8,;-6.97,-12.57,;-6.97,-14.11,;-5.64,-14.88,;-5.64,-16.42,;-4.31,-17.19,;-6.97,-17.19,;-6.97,-9.49,;-6.97,-7.95,;-5.64,-10.26,;-4.31,-9.49,;-4.31,-7.95,;-2.97,-7.18,;-1.64,-7.96,;-.31,-7.19,;-.31,-5.65,;1.02,-4.88,;-1.65,-4.88,;-2.98,-5.65,;-2.97,-10.26,;-2.97,-11.8,;-1.64,-9.49,;-.3,-10.26,;-.3,-11.8,;1.03,-12.57,;1.03,-14.11,;2.36,-14.88,;2.36,-16.42,;3.7,-17.19,;1.03,-17.19,;1.03,-9.49,;1.03,-7.95,;2.36,-10.26,;3.7,-9.49,;3.7,-7.95,;5.03,-7.18,;5.03,-5.64,;6.36,-4.87,;6.36,-3.33,;5.03,-10.26,;5.03,-11.8,;6.36,-9.49,;7.7,-10.26,;7.7,-11.8,;9.03,-12.57,;9.03,-14.11,;7.7,-14.88,;10.36,-14.88,;9.03,-9.49,;9.03,-7.95,;10.36,-10.26,;11.7,-9.49,;11.7,-7.95,;13.03,-7.18,;13.03,-5.64,;14.37,-4.87,;13.03,-10.26,;13.03,-11.8,;14.37,-9.49,;15.7,-10.26,;15.7,-11.8,;17.03,-9.49,;17.03,-7.95,;18.37,-10.26,;19.7,-9.49,;19.7,-7.95,;21.03,-7.18,;18.37,-7.18,;21.03,-10.26,;21.03,-11.8,;22.37,-9.49,;23.7,-10.26,;23.7,-11.8,;25.04,-12.57,;25.04,-14.11,;26.37,-14.88,;26.37,-16.42,;25.04,-9.49,;25.04,-7.95,;26.37,-10.26,;27.7,-9.49,;27.7,-7.95,;29.04,-7.18,;29.04,-5.64,;30.37,-4.87,;30.37,-3.33,;29.04,-10.26,;29.04,-11.8,;30.37,-9.49,;31.7,-10.26,;31.7,-11.8,;33.04,-12.57,;33.03,-14.11,;34.36,-14.88,;35.7,-14.11,;37.03,-14.88,;35.69,-12.56,;34.37,-11.8,;33.04,-9.49,;33.04,-7.95,;34.37,-10.26,;35.7,-9.49,;35.7,-7.95,;37.04,-7.18,;37.04,-5.64,;38.37,-7.95,;37.04,-10.26,;37.04,-11.8,;38.37,-9.49,;39.71,-10.26,;39.71,-11.8,;41.04,-9.49,;41.04,-7.95,;42.37,-10.26,;43.71,-9.49,;43.71,-7.95,;45.04,-10.26,;45.04,-11.8,;46.37,-9.49,;47.71,-10.26,;47.71,-11.8,;46.37,-12.57,;49.04,-12.57,;49.04,-9.49,;49.04,-7.95,;50.37,-10.26,;51.71,-9.49,;51.71,-7.95,;53.04,-7.18,;53.04,-5.64,;54.38,-7.95,;53.04,-10.26,;54.38,-9.49,;53.04,-11.8,)|
Show InChI InChI=1S/C142H223N39O40S/c1-16-75(10)113(178-108(190)66-155-119(199)101(63-109(191)192)171-134(214)104(67-182)175-118(198)88(146)62-84-65-152-70-156-84)138(218)172-100(58-80-28-18-17-19-29-80)132(212)181-114(79(14)185)139(219)173-102(64-110(193)194)131(211)177-106(69-184)135(215)170-99(61-83-39-45-87(188)46-40-83)130(210)176-105(68-183)133(213)163-93(34-27-54-154-142(150)151)125(205)168-97(59-81-35-41-85(186)42-36-81)128(208)162-92(33-26-53-153-141(148)149)123(203)160-89(30-20-23-50-143)121(201)164-94(47-48-107(147)189)126(206)165-95(49-55-222-15)120(200)158-78(13)117(197)179-111(73(6)7)136(216)166-91(32-22-25-52-145)122(202)161-90(31-21-24-51-144)124(204)169-98(60-82-37-43-86(187)44-38-82)129(209)167-96(56-71(2)3)127(207)159-76(11)115(195)157-77(12)116(196)180-112(74(8)9)137(217)174-103(140(220)221)57-72(4)5/h17-19,28-29,35-46,65,70-79,88-106,111-114,182-188H,16,20-27,30-34,47-64,66-69,143-146H2,1-15H3,(H2,147,189)(H,152,156)(H,155,199)(H,157,195)(H,158,200)(H,159,207)(H,160,203)(H,161,202)(H,162,208)(H,163,213)(H,164,201)(H,165,206)(H,166,216)(H,167,209)(H,168,205)(H,169,204)(H,170,215)(H,171,214)(H,172,218)(H,173,219)(H,174,217)(H,175,198)(H,176,210)(H,177,211)(H,178,190)(H,179,197)(H,180,196)(H,181,212)(H,191,192)(H,193,194)(H,220,221)(H4,148,149,153)(H4,150,151,154)/t75-,76-,77-,78-,79+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,111-,112-,113-,114-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]PACAP27 from human VPAC1 receptor expressed in CHO cells


J Med Chem 49: 7545-8 (2006)


Article DOI: 10.1021/jm0609059
BindingDB Entry DOI: 10.7270/Q2VD708R
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147307
PNG
(4-Isopropyl-3-methyl-2-(4-phenyl-piperidine-1-carb...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C19H24N2O3/c1-13(2)17-14(3)21(24-18(17)22)19(23)20-11-9-16(10-12-20)15-7-5-4-6-8-15/h4-8,13,16H,9-12H2,1-3H3
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n/an/a 12n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147297
PNG
(4-Isopropyl-2-[4-(3-methoxy-phenyl)-piperazine-1-c...)
Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)n1oc(=O)c(C(C)C)c1C
Show InChI InChI=1S/C19H25N3O4/c1-13(2)17-14(3)22(26-18(17)23)19(24)21-10-8-20(9-11-21)15-6-5-7-16(12-15)25-4/h5-7,12-13H,8-11H2,1-4H3
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n/an/a 13n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
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