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Compile Data Set for Download or QSAR

Found 286 hits with Last Name = 'jacobsen' and Initial = 'p'   
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
Estrogen receptor beta


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]17-beta-estradiol from Estrogen receptor of rabbit uterine tissue

Bioorg Med Chem Lett 12: 17-9 (2002)


BindingDB Entry DOI: 10.7270/Q2X350NF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue

Bioorg Med Chem Lett 10: 2383-6 (2000)


BindingDB Entry DOI: 10.7270/Q28G8NWG
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor of rabbit uterine skeletal muscle tissue

Bioorg Med Chem Lett 10: 399-402 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5X6P
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50218372
PNG
(CHEMBL80124)
Show SMILES CCc1c(-c2ccc(O)cc2)c2ccc3c(O)ccc1n23
Show InChI InChI=1S/C18H15NO2/c1-2-13-14-9-10-17(21)15-7-8-16(19(14)15)18(13)11-3-5-12(20)6-4-11/h3-10,20-21H,2H2,1H3
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n/an/a 0.900n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue

Bioorg Med Chem Lett 10: 2383-6 (2000)


BindingDB Entry DOI: 10.7270/Q28G8NWG
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50218382
PNG
(CHEMBL76909)
Show SMILES CCc1c(-c2ccc(O)cc2)c2ccc3cc(O)cc1n23
Show InChI InChI=1S/C18H15NO2/c1-2-15-17-10-14(21)9-12-5-8-16(19(12)17)18(15)11-3-6-13(20)7-4-11/h3-10,20-21H,2H2,1H3
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n/an/a 0.900n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue

Bioorg Med Chem Lett 10: 2383-6 (2000)


BindingDB Entry DOI: 10.7270/Q28G8NWG
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM50142719
PNG
(CHEMBL49895 | Morpholin-4-yl-carbamic acid 4-[(4-t...)
Show SMILES CC(C)(C)C1CCC(CC1)C(=O)Nc1ccc(OC(=O)NN2CCOCC2)cc1 |(18.92,2.31,;17.57,3.06,;17.56,4.61,;18.9,3.85,;16.23,2.28,;14.9,3.06,;13.57,2.28,;13.57,.76,;14.9,-.01,;16.23,.75,;12.24,-.01,;12.25,-1.55,;10.9,.76,;9.55,-.03,;8.21,.74,;6.87,-.03,;6.87,-1.57,;5.53,-2.35,;4.19,-1.57,;4.19,-.03,;2.86,-2.35,;1.5,-1.55,;.17,-2.32,;-1.16,-1.55,;-1.16,-.01,;.17,.76,;1.5,-.01,;8.21,-2.35,;9.55,-1.57,)|
Show InChI InChI=1S/C22H33N3O4/c1-22(2,3)17-6-4-16(5-7-17)20(26)23-18-8-10-19(11-9-18)29-21(27)24-25-12-14-28-15-13-25/h8-11,16-17H,4-7,12-15H2,1-3H3,(H,23,26)(H,24,27)
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n/an/a 1n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase.

Bioorg Med Chem Lett 14: 1741-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.038
BindingDB Entry DOI: 10.7270/Q2FX78X1
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50218560
PNG
(CHEBI:34857 | Metoxiestrol | Moxestrol | R-2858)
Show SMILES [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)C[C@H](OC)[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C21H26O3/c1-4-21(23)10-9-17-16-7-5-13-11-14(22)6-8-15(13)19(16)18(24-3)12-20(17,21)2/h1,6,8,11,16-19,22-23H,5,7,9-10,12H2,2-3H3/t16-,17-,18-,19+,20-,21-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor of rabbit uterine skeletal muscle tissue

Bioorg Med Chem Lett 10: 399-402 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5X6P
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50218560
PNG
(CHEBI:34857 | Metoxiestrol | Moxestrol | R-2858)
Show SMILES [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)C[C@H](OC)[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C21H26O3/c1-4-21(23)10-9-17-16-7-5-13-11-14(22)6-8-15(13)19(16)18(24-3)12-20(17,21)2/h1,6,8,11,16-19,22-23H,5,7,9-10,12H2,2-3H3/t16-,17-,18-,19+,20-,21-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]17-beta-estradiol from Estrogen receptor of rabbit uterine tissue

Bioorg Med Chem Lett 12: 17-9 (2002)


BindingDB Entry DOI: 10.7270/Q2X350NF
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM50142713
PNG
((3,4-Dihydro-1H-isoquinolin-2-yl)-carbamic acid 4-...)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(OC(=O)NN2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C21H25N3O4/c1-21(2,3)28-19(25)22-17-8-10-18(11-9-17)27-20(26)23-24-13-12-15-6-4-5-7-16(15)14-24/h4-11H,12-14H2,1-3H3,(H,22,25)(H,23,26)
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n/an/a 3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase.

Bioorg Med Chem Lett 14: 1741-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.038
BindingDB Entry DOI: 10.7270/Q2FX78X1
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50219402
PNG
(CHEMBL299942)
Show SMILES Oc1ccc2[C@H]([C@H](COc2c1)c1ccccc1)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H31NO3/c30-23-11-14-25-27(19-23)32-20-26(21-7-3-1-4-8-21)28(25)22-9-12-24(13-10-22)31-18-17-29-15-5-2-6-16-29/h1,3-4,7-14,19,26,28,30H,2,5-6,15-18,20H2/t26-,28-/m1/s1
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n/an/a 3.10n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]17-beta-estradiol from Estrogen receptor of rabbit uterine tissue

Bioorg Med Chem Lett 12: 17-9 (2002)


BindingDB Entry DOI: 10.7270/Q2X350NF
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM50142731
PNG
(CHEMBL49417 | [4-(Morpholin-4-ylcarbamoyloxy)-phen...)
Show SMILES O=C(Cc1ccc(OC(=O)NN2CCOCC2)cc1)OCc1ccccc1
Show InChI InChI=1S/C20H22N2O5/c23-19(26-15-17-4-2-1-3-5-17)14-16-6-8-18(9-7-16)27-20(24)21-22-10-12-25-13-11-22/h1-9H,10-15H2,(H,21,24)
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n/an/a 5n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase.

Bioorg Med Chem Lett 14: 1741-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.038
BindingDB Entry DOI: 10.7270/Q2FX78X1
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50218327
PNG
(CHEMBL312193)
Show SMILES CCCc1c(-c2ccc(O)cc2)c2ccc3cccc1n23
Show InChI InChI=1S/C19H17NO/c1-2-4-16-17-6-3-5-14-9-12-18(20(14)17)19(16)13-7-10-15(21)11-8-13/h3,5-12,21H,2,4H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue

Bioorg Med Chem Lett 10: 2383-6 (2000)


BindingDB Entry DOI: 10.7270/Q28G8NWG
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50219400
PNG
(CHEMBL554789)
Show SMILES Cl.Oc1ccc2[C@H]([C@H](COc2c1)c1ccccc1)c1ccc(SCCN2CCCC2)cc1 |r|
Show InChI InChI=1S/C27H29NO2S.ClH/c29-22-10-13-24-26(18-22)30-19-25(20-6-2-1-3-7-20)27(24)21-8-11-23(12-9-21)31-17-16-28-14-4-5-15-28;/h1-3,6-13,18,25,27,29H,4-5,14-17,19H2;1H/t25-,27-;/m1./s1
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n/an/a 6.5n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]17-beta-estradiol from Estrogen receptor of rabbit uterine tissue

Bioorg Med Chem Lett 12: 17-9 (2002)


BindingDB Entry DOI: 10.7270/Q2X350NF
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50219403
PNG
(CB-7432 | Idoxifene | SB-223030)
Show SMILES CC\C(=C(/c1ccc(I)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1
Show InChI InChI=1S/C28H30INO/c1-2-27(22-8-4-3-5-9-22)28(23-10-14-25(29)15-11-23)24-12-16-26(17-13-24)31-21-20-30-18-6-7-19-30/h3-5,8-17H,2,6-7,18-21H2,1H3/b28-27-
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n/an/a 7.5n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]17-beta-estradiol from Estrogen receptor of rabbit uterine tissue

Bioorg Med Chem Lett 12: 17-9 (2002)


BindingDB Entry DOI: 10.7270/Q2X350NF
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM19441
PNG
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
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n/an/a 7.70n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]17-beta-estradiol from Estrogen receptor of rabbit uterine tissue

Bioorg Med Chem Lett 12: 17-9 (2002)


BindingDB Entry DOI: 10.7270/Q2X350NF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50218330
PNG
(CHEMBL312655)
Show SMILES CC(C)c1c(-c2ccc(O)cc2)c2ccc3cccc1n23
Show InChI InChI=1S/C19H17NO/c1-12(2)18-16-5-3-4-14-8-11-17(20(14)16)19(18)13-6-9-15(21)10-7-13/h3-12,21H,1-2H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue

Bioorg Med Chem Lett 10: 2383-6 (2000)


BindingDB Entry DOI: 10.7270/Q28G8NWG
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50085657
PNG
(4-(1-Ethyl-pyrrolo[2,1,5-cd]indolizin-2-yl)-phenol...)
Show SMILES CCc1c(-c2ccc(O)cc2)c2ccc3cccc1n23
Show InChI InChI=1S/C18H15NO/c1-2-15-16-5-3-4-13-8-11-17(19(13)16)18(15)12-6-9-14(20)10-7-12/h3-11,20H,2H2,1H3
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n/an/a 9.5n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor of rabbit uterine skeletal muscle tissue

Bioorg Med Chem Lett 10: 399-402 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5X6P
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50085657
PNG
(4-(1-Ethyl-pyrrolo[2,1,5-cd]indolizin-2-yl)-phenol...)
Show SMILES CCc1c(-c2ccc(O)cc2)c2ccc3cccc1n23
Show InChI InChI=1S/C18H15NO/c1-2-15-16-5-3-4-13-8-11-17(19(13)16)18(15)12-6-9-14(20)10-7-12/h3-11,20H,2H2,1H3
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n/an/a 9.5n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue

Bioorg Med Chem Lett 10: 2383-6 (2000)


BindingDB Entry DOI: 10.7270/Q28G8NWG
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50219399
PNG
(CHEMBL52598)
Show SMILES Oc1ccc2[C@H]([C@H](COc2c1)c1ccccc1)c1ccc(SCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H31NO2S/c30-23-11-14-25-27(19-23)31-20-26(21-7-3-1-4-8-21)28(25)22-9-12-24(13-10-22)32-18-17-29-15-5-2-6-16-29/h1,3-4,7-14,19,26,28,30H,2,5-6,15-18,20H2/t26-,28-/m1/s1
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n/an/a 9.70n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]17-beta-estradiol from Estrogen receptor of rabbit uterine tissue

Bioorg Med Chem Lett 12: 17-9 (2002)


BindingDB Entry DOI: 10.7270/Q2X350NF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50138756
PNG
(CHEMBL335158 | [3-(4-Chloro-phenyl)-5-hexylsulfany...)
Show SMILES CCCCCCSc1nc(nn1C(=O)N1CCCCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H27ClN4OS/c1-2-3-4-8-15-27-19-22-18(16-9-11-17(21)12-10-16)23-25(19)20(26)24-13-6-5-7-14-24/h9-12H,2-8,13-15H2,1H3
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n/an/a<10n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase

J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50138750
PNG
(3-(4-Chloro-phenyl)-5-methylsulfanyl-[1,2,4]triazo...)
Show SMILES CSc1nc(nn1C(=O)N(C)C)-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H13ClN4OS/c1-16(2)12(18)17-11(19-3)14-10(15-17)8-4-6-9(13)7-5-8/h4-7H,1-3H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against butyrylcholinesterase.

J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50138752
PNG
(5-Methylsulfanyl-3-((E)-styryl)-[1,2,4]triazole-1-...)
Show SMILES CSc1nc(\C=C\c2ccccc2)nn1C(=O)N(C)C
Show InChI InChI=1S/C14H16N4OS/c1-17(2)14(19)18-13(20-3)15-12(16-18)10-9-11-7-5-4-6-8-11/h4-10H,1-3H3/b10-9+
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n/an/a<10n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase

J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM50142729
PNG
(CHEMBL49896 | Morpholin-4-yl-carbamic acid 4-(cycl...)
Show SMILES O=C(NN1CCOCC1)Oc1ccc(NC(=O)C2CCCCC2)cc1
Show InChI InChI=1S/C18H25N3O4/c22-17(14-4-2-1-3-5-14)19-15-6-8-16(9-7-15)25-18(23)20-21-10-12-24-13-11-21/h6-9,14H,1-5,10-13H2,(H,19,22)(H,20,23)
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n/an/a 10n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase.

Bioorg Med Chem Lett 14: 1741-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.038
BindingDB Entry DOI: 10.7270/Q2FX78X1
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50218384
PNG
(CHEMBL407164)
Show SMILES CCc1c(-c2ccc(O)cc2)c2ccc3ccc(CO)c1n23
Show InChI InChI=1S/C19H17NO2/c1-2-16-18(12-4-8-15(22)9-5-12)17-10-7-14-6-3-13(11-21)19(16)20(14)17/h3-10,21-22H,2,11H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue

Bioorg Med Chem Lett 10: 2383-6 (2000)


BindingDB Entry DOI: 10.7270/Q28G8NWG
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50219401
PNG
(CHEMBL417596)
Show SMILES Oc1ccc2[C@H]([C@H](COc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C27H29NO3/c29-22-10-13-24-26(18-22)31-19-25(20-6-2-1-3-7-20)27(24)21-8-11-23(12-9-21)30-17-16-28-14-4-5-15-28/h1-3,6-13,18,25,27,29H,4-5,14-17,19H2/t25-,27-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]17-beta-estradiol from Estrogen receptor of rabbit uterine tissue

Bioorg Med Chem Lett 12: 17-9 (2002)


BindingDB Entry DOI: 10.7270/Q2X350NF
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM50142715
PNG
((3,4-Dihydro-1H-isoquinolin-2-yl)-carbamic acid 4-...)
Show SMILES Clc1ccc(OC(=O)NN2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C16H15ClN2O2/c17-14-5-7-15(8-6-14)21-16(20)18-19-10-9-12-3-1-2-4-13(12)11-19/h1-8H,9-11H2,(H,18,20)
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n/an/a 19n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase.

Bioorg Med Chem Lett 14: 1741-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.038
BindingDB Entry DOI: 10.7270/Q2FX78X1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM50138750
PNG
(3-(4-Chloro-phenyl)-5-methylsulfanyl-[1,2,4]triazo...)
Show SMILES CSc1nc(nn1C(=O)N(C)C)-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H13ClN4OS/c1-16(2)12(18)17-11(19-3)14-10(15-17)8-4-6-9(13)7-5-8/h4-7H,1-3H3
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n/an/a 20n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).

J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		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 23n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).

J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM50224134
PNG
(CHEMBL238293 | pyrrolidine-1-carboxylic acid 4-(5-...)
Show SMILES FC(F)(F)c1ccc(Oc2ccc(OC(=O)N3CCCC3)cc2)nc1
Show InChI InChI=1S/C17H15F3N2O3/c18-17(19,20)12-3-8-15(21-11-12)24-13-4-6-14(7-5-13)25-16(23)22-9-1-2-10-22/h3-8,11H,1-2,9-10H2
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n/an/a 23n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hormone-sensitive lipase

J Med Chem 50: 5449-56 (2007)


Article DOI: 10.1021/jm0607653
BindingDB Entry DOI: 10.7270/Q2JS9Q5V
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM50224161
PNG
((4-methoxy-phenyl)-methyl-carbamic acid 4-(5-trifl...)
Show SMILES COc1ccc(cc1)N(C)C(=O)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H17F3N2O4/c1-26(15-4-6-16(28-2)7-5-15)20(27)30-18-10-8-17(9-11-18)29-19-12-3-14(13-25-19)21(22,23)24/h3-13H,1-2H3
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n/an/a 23n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hormone-sensitive lipase

J Med Chem 50: 5449-56 (2007)


Article DOI: 10.1021/jm0607653
BindingDB Entry DOI: 10.7270/Q2JS9Q5V
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM50142724
PNG
(CHEMBL49628 | Pyrrolidin-1-yl-carbamic acid 4-chlo...)
Show SMILES Clc1ccc(OC(=O)NN2CCCC2)cc1
Show InChI InChI=1S/C11H13ClN2O2/c12-9-3-5-10(6-4-9)16-11(15)13-14-7-1-2-8-14/h3-6H,1-2,7-8H2,(H,13,15)
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n/an/a 24n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase.

Bioorg Med Chem Lett 14: 1741-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.038
BindingDB Entry DOI: 10.7270/Q2FX78X1
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50218328
PNG
(CHEMBL80976)
Show SMILES Oc1ccc(cc1)C1=c2ccc3=CC=C4CCCCC1C4n23 |c:8,t:12,14|
Show InChI InChI=1S/C20H19NO/c22-16-10-6-13(7-11-16)19-17-4-2-1-3-14-5-8-15-9-12-18(19)21(15)20(14)17/h5-12,17,20,22H,1-4H2
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n/an/a 25n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue

Bioorg Med Chem Lett 10: 2383-6 (2000)


BindingDB Entry DOI: 10.7270/Q28G8NWG
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM50224139
PNG
((2-chloro-phenyl)-methyl-carbamic acid 4-(5-triflu...)
Show SMILES CN(C(=O)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1)c1ccccc1Cl
Show InChI InChI=1S/C20H14ClF3N2O3/c1-26(17-5-3-2-4-16(17)21)19(27)29-15-9-7-14(8-10-15)28-18-11-6-13(12-25-18)20(22,23)24/h2-12H,1H3
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n/an/a 26n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hormone-sensitive lipase

J Med Chem 50: 5449-56 (2007)


Article DOI: 10.1021/jm0607653
BindingDB Entry DOI: 10.7270/Q2JS9Q5V
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50138745
PNG
((3-(4-chlorophenyl)-5-(methylthio)-1H-1,2,4-triazo...)
Show SMILES CSc1nc(nn1C(=O)N1CCCCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H17ClN4OS/c1-22-14-17-13(11-5-7-12(16)8-6-11)18-20(14)15(21)19-9-3-2-4-10-19/h5-8H,2-4,9-10H2,1H3
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n/an/a 26n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase

J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50218325
PNG
(CHEMBL308872)
Show SMILES Cc1c(-c2ccc(O)cc2)c2ccc3cccc1n23
Show InChI InChI=1S/C17H13NO/c1-11-15-4-2-3-13-7-10-16(18(13)15)17(11)12-5-8-14(19)9-6-12/h2-10,19H,1H3
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n/an/a 28n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue

Bioorg Med Chem Lett 10: 2383-6 (2000)


BindingDB Entry DOI: 10.7270/Q28G8NWG
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM50138743
PNG
(5-Methylsulfanyl-3-p-tolyl-[1,2,4]triazole-1-carbo...)
Show SMILES CSc1nc(nn1C(=O)N(C)C)-c1ccc(C)cc1
Show InChI InChI=1S/C13H16N4OS/c1-9-5-7-10(8-6-9)11-14-12(19-4)17(15-11)13(18)16(2)3/h5-8H,1-4H3
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n/an/a 30n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).

J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50218326
PNG
(CHEMBL80560)
Show SMILES Oc1ccc(cc1)C1=c2ccc3=CC=C4CCCC1C4n23 |c:8,t:12,14|
Show InChI InChI=1S/C19H17NO/c21-15-9-5-12(6-10-15)18-16-3-1-2-13-4-7-14-8-11-17(18)20(14)19(13)16/h4-11,16,19,21H,1-3H2
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n/an/a 30n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue

Bioorg Med Chem Lett 10: 2383-6 (2000)


BindingDB Entry DOI: 10.7270/Q28G8NWG
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM50142726
PNG
((1-Methyl-3,4-dihydro-1H-isoquinolin-2-yl)-carbami...)
Show SMILES CC1N(CCc2ccccc12)NC(=O)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C17H17ClN2O2/c1-12-16-5-3-2-4-13(16)10-11-20(12)19-17(21)22-15-8-6-14(18)7-9-15/h2-9,12H,10-11H2,1H3,(H,19,21)
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n/an/a 32n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase.

Bioorg Med Chem Lett 14: 1741-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.038
BindingDB Entry DOI: 10.7270/Q2FX78X1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM50142728
PNG
((3-Methyl-3,4-dihydro-1H-isoquinolin-2-yl)-carbami...)
Show SMILES CC1Cc2ccccc2CN1NC(=O)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C17H17ClN2O2/c1-12-10-13-4-2-3-5-14(13)11-20(12)19-17(21)22-16-8-6-15(18)7-9-16/h2-9,12H,10-11H2,1H3,(H,19,21)
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n/an/a 35n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase.

Bioorg Med Chem Lett 14: 1741-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.038
BindingDB Entry DOI: 10.7270/Q2FX78X1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM50224142
PNG
(CHEMBL241552 | methyl-o-tolyl-carbamic acid 4-(tri...)
Show SMILES CN(C(=O)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1)c1ccccc1C
Show InChI InChI=1S/C21H17F3N2O3/c1-14-5-3-4-6-18(14)26(2)20(27)29-17-10-8-16(9-11-17)28-19-12-7-15(13-25-19)21(22,23)24/h3-13H,1-2H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hormone-sensitive lipase

J Med Chem 50: 5449-56 (2007)


Article DOI: 10.1021/jm0607653
BindingDB Entry DOI: 10.7270/Q2JS9Q5V
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM50224144
PNG
(CHEMBL238085 | methyl-phenyl-carbamic acid 4-(5-tr...)
Show SMILES CN(C(=O)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1)c1ccccc1
Show InChI InChI=1S/C20H15F3N2O3/c1-25(15-5-3-2-4-6-15)19(26)28-17-10-8-16(9-11-17)27-18-12-7-14(13-24-18)20(21,22)23/h2-13H,1H3
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n/an/a 46n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hormone-sensitive lipase

J Med Chem 50: 5449-56 (2007)


Article DOI: 10.1021/jm0607653
BindingDB Entry DOI: 10.7270/Q2JS9Q5V
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM50224154
PNG
(CHEMBL235751 | methyl-phenyl-carbamic acid 4-(5-ch...)
Show SMILES CN(C(=O)Oc1ccc(Oc2ccc(Cl)cn2)cc1)c1ccccc1
Show InChI InChI=1S/C19H15ClN2O3/c1-22(15-5-3-2-4-6-15)19(23)25-17-10-8-16(9-11-17)24-18-12-7-14(20)13-21-18/h2-13H,1H3
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n/an/a 46n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hormone-sensitive lipase

J Med Chem 50: 5449-56 (2007)


Article DOI: 10.1021/jm0607653
BindingDB Entry DOI: 10.7270/Q2JS9Q5V
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM50142717
PNG
(CHEMBL415929 | Morpholin-4-yl-carbamic acid 4-(3,3...)
Show SMILES CC(C)(C)CC(=O)Nc1ccc(OC(=O)NN2CCOCC2)cc1
Show InChI InChI=1S/C17H25N3O4/c1-17(2,3)12-15(21)18-13-4-6-14(7-5-13)24-16(22)19-20-8-10-23-11-9-20/h4-7H,8-12H2,1-3H3,(H,18,21)(H,19,22)
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n/an/a 47n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase.

Bioorg Med Chem Lett 14: 1741-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.038
BindingDB Entry DOI: 10.7270/Q2FX78X1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM50142725
PNG
(CHEMBL45985 | Piperidin-1-yl-carbamic acid 4-chlor...)
Show SMILES Clc1ccc(OC(=O)NN2CCCCC2)cc1
Show InChI InChI=1S/C12H15ClN2O2/c13-10-4-6-11(7-5-10)17-12(16)14-15-8-2-1-3-9-15/h4-7H,1-3,8-9H2,(H,14,16)
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n/an/a 50n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase.

Bioorg Med Chem Lett 14: 1741-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.038
BindingDB Entry DOI: 10.7270/Q2FX78X1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50138731
PNG
(3-(4-Chloro-phenyl)-5-ethylsulfanyl-[1,2,4]triazol...)
Show SMILES CCSc1nc(nn1C(=O)N(C)C)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H15ClN4OS/c1-4-20-12-15-11(9-5-7-10(14)8-6-9)16-18(12)13(19)17(2)3/h5-8H,4H2,1-3H3
PDB
MMDB

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n/an/a 50n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against butyrylcholinesterase.

J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50138748
PNG
(5-Methylsulfanyl-3-naphthalen-2-yl-[1,2,4]triazole...)
Show SMILES CSc1nc(nn1C(=O)N(C)C)-c1ccc2ccccc2c1
Show InChI InChI=1S/C16H16N4OS/c1-19(2)16(21)20-15(22-3)17-14(18-20)13-9-8-11-6-4-5-7-12(11)10-13/h4-10H,1-3H3
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n/an/a 50n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase

J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM50224158
PNG
((2-Methoxy-phenyl)-methyl-carbamic acid 4-(5-trifl...)
Show SMILES COc1ccccc1N(C)C(=O)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H17F3N2O4/c1-26(17-5-3-4-6-18(17)28-2)20(27)30-16-10-8-15(9-11-16)29-19-12-7-14(13-25-19)21(22,23)24/h3-13H,1-2H3
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n/an/a 51n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hormone-sensitive lipase

J Med Chem 50: 5449-56 (2007)


Article DOI: 10.1021/jm0607653
BindingDB Entry DOI: 10.7270/Q2JS9Q5V
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50138731
PNG
(3-(4-Chloro-phenyl)-5-ethylsulfanyl-[1,2,4]triazol...)
Show SMILES CCSc1nc(nn1C(=O)N(C)C)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H15ClN4OS/c1-4-20-12-15-11(9-5-7-10(14)8-6-9)16-18(12)13(19)17(2)3/h5-8H,4H2,1-3H3
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n/an/a 56n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase

J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM50138742
PNG
(3-(4-Chloro-phenyl)-5-propylsulfanyl-[1,2,4]triazo...)
Show SMILES CCCSc1nc(nn1C(=O)N(C)C)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H17ClN4OS/c1-4-9-21-13-16-12(10-5-7-11(15)8-6-10)17-19(13)14(20)18(2)3/h5-8H,4,9H2,1-3H3
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n/an/a 60n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).

J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM50138758
PNG
(3-(4-Chloro-phenyl)-5-cyclopropylmethylsulfanyl-[1...)
Show SMILES CN(C(=O)n1nc(nc1SCC1CC1)-c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C20H19ClN4OS/c1-24(17-5-3-2-4-6-17)20(26)25-19(27-13-14-7-8-14)22-18(23-25)15-9-11-16(21)12-10-15/h2-6,9-12,14H,7-8,13H2,1H3
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n/an/a 62n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).

J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
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