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Compile Data Set for Download or QSAR

Found 3241 hits of ic50 for UniProtKB: P78536   
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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50195927
PNG
(CHEMBL391851 | N-(5-methyl-2,4,6-trioxo-hexahydrop...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(C)C(=O)NC(=O)NC2=O)c2ccccc2n1
Show InChI InChI=1S/C23H20N4O5/c1-13-11-15(17-5-3-4-6-18(17)24-13)12-32-16-9-7-14(8-10-16)19(28)27-23(2)20(29)25-22(31)26-21(23)30/h3-11H,12H2,1-2H3,(H,27,28)(H2,25,26,29,30,31)
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n/an/a 0.0260n/an/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Inhibition of TACE

Bioorg Med Chem 17: 444-59 (2009)


Article DOI: 10.1016/j.bmc.2008.11.067
BindingDB Entry DOI: 10.7270/Q2WH2QWZ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50245492
PNG
(CHEMBL4082554)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2NS(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r,c:5|
Show InChI InChI=1S/C25H25N3O5S/c1-15-12-18(21-4-2-3-5-22(21)26-15)14-33-19-8-10-20(11-9-19)34(31,32)28-24-17-7-6-16(13-17)23(24)25(29)27-30/h2-12,16-17,23-24,28,30H,13-14H2,1H3,(H,27,29)/t16-,17+,23+,24-/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TACE catalytic domain (unknown origin) using pro-TNFalpha peptide Abz-LAQAVRSSSR-Dpa as substrate preincubated for 10 mins ...

J Med Chem 60: 527-553 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00935
BindingDB Entry DOI: 10.7270/Q29C70V2
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332481
PNG
((R)-2-((R)-3-amino-3-(4-((2-methylquinolin-4-yl)me...)
Show SMILES CC(C)[C@@H](N1CC[C@](N)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r|
Show InChI InChI=1S/C26H30N4O4/c1-16(2)23(24(31)29-33)30-13-12-26(27,25(30)32)19-8-10-20(11-9-19)34-15-18-14-17(3)28-22-7-5-4-6-21(18)22/h4-11,14,16,23,33H,12-13,15,27H2,1-3H3,(H,29,31)/t23-,26-/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332481
PNG
((R)-2-((R)-3-amino-3-(4-((2-methylquinolin-4-yl)me...)
Show SMILES CC(C)[C@@H](N1CC[C@](N)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r|
Show InChI InChI=1S/C26H30N4O4/c1-16(2)23(24(31)29-33)30-13-12-26(27,25(30)32)19-8-10-20(11-9-19)34-15-18-14-17(3)28-22-7-5-4-6-21(18)22/h4-11,14,16,23,33H,12-13,15,27H2,1-3H3,(H,29,31)/t23-,26-/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50229322
PNG
((3S,4S)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)met...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CN(CC#C)C[C@@H]2C(=O)NO)c2ccccc2n1 |r|
Show InChI InChI=1S/C26H26N4O4/c1-3-12-30-14-22(26(32)29-33)24(15-30)28-25(31)18-8-10-20(11-9-18)34-16-19-13-17(2)27-23-7-5-4-6-21(19)23/h1,4-11,13,22,24,33H,12,14-16H2,2H3,(H,28,31)(H,29,32)/t22-,24+/m0/s1
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n/an/a 0.140n/an/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Inhibition of TACE

Bioorg Med Chem 17: 444-59 (2009)


Article DOI: 10.1016/j.bmc.2008.11.067
BindingDB Entry DOI: 10.7270/Q2WH2QWZ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50247606
PNG
((R)-2-((R)-3-amino-3-(4-((2-methylquinolin-4-yl)me...)
Show SMILES CC(C)C[C@@H](N1CC[C@](N)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r|
Show InChI InChI=1S/C27H32N4O4/c1-17(2)14-24(25(32)30-34)31-13-12-27(28,26(31)33)20-8-10-21(11-9-20)35-16-19-15-18(3)29-23-7-5-4-6-22(19)23/h4-11,15,17,24,34H,12-14,16,28H2,1-3H3,(H,30,32)/t24-,27-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Inhibition of TACE

Bioorg Med Chem 17: 444-59 (2009)


Article DOI: 10.1016/j.bmc.2008.11.067
BindingDB Entry DOI: 10.7270/Q2WH2QWZ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50070453
PNG
((2R,3S)-2-Allyl-N*1*-hydroxy-3-isobutyl-N*4*-((S)-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CC=C)C(=O)NO
Show InChI InChI=1S/C21H31N3O4/c1-5-9-16(20(26)24-28)17(12-14(2)3)19(25)23-18(21(27)22-4)13-15-10-7-6-8-11-15/h5-8,10-11,14,16-18,28H,1,9,12-13H2,2-4H3,(H,22,27)(H,23,25)(H,24,26)/t16-,17+,18-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against Tumor necrosis factor alpha-converting enzyme (TACE) in blood.

J Med Chem 42: 4890-908 (1999)


BindingDB Entry DOI: 10.7270/Q2HM57NS
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50082973
PNG
((2R,3S)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-p...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](OCCc1ccc2sc(C)nc2c1)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C25H38N4O5S/c1-14(2)12-17(22(30)28-21(24(32)26-7)25(4,5)6)20(23(31)29-33)34-11-10-16-8-9-19-18(13-16)27-15(3)35-19/h8-9,13-14,17,20-21,33H,10-12H2,1-7H3,(H,26,32)(H,28,30)(H,29,31)/t17-,20+,21-/m1/s1
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n/an/a 0.210n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against Tumor necrosis factor alpha-converting enzyme (TACE) in blood.

J Med Chem 42: 4890-908 (1999)


BindingDB Entry DOI: 10.7270/Q2HM57NS
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50082965
PNG
((2R,3S)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-p...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](NCc1cccc2cccnc12)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C25H37N5O4/c1-15(2)13-18(22(31)29-21(24(33)26-6)25(3,4)5)20(23(32)30-34)28-14-17-10-7-9-16-11-8-12-27-19(16)17/h7-12,15,18,20-21,28,34H,13-14H2,1-6H3,(H,26,33)(H,29,31)(H,30,32)/t18-,20+,21-/m1/s1
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n/an/a 0.230n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against Tumor necrosis factor alpha-converting enzyme (TACE) in blood.

J Med Chem 42: 4890-908 (1999)


BindingDB Entry DOI: 10.7270/Q2HM57NS
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332476
PNG
(2-((6-Methyl-2-oxo-2H-chromen-3-yl)methyl)-5-(3-(2...)
Show SMILES Cc1ccc2oc(=O)c(CC(CCCc3cccc(OCCN4CCCCC4)c3)C(=O)NO)cc2c1
Show InChI InChI=1S/C29H36N2O5/c1-21-11-12-27-24(17-21)20-25(29(33)36-27)19-23(28(32)30-34)9-5-7-22-8-6-10-26(18-22)35-16-15-31-13-3-2-4-14-31/h6,8,10-12,17-18,20,23,34H,2-5,7,9,13-16,19H2,1H3,(H,30,32)
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n/an/a 0.270n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332476
PNG
(2-((6-Methyl-2-oxo-2H-chromen-3-yl)methyl)-5-(3-(2...)
Show SMILES Cc1ccc2oc(=O)c(CC(CCCc3cccc(OCCN4CCCCC4)c3)C(=O)NO)cc2c1
Show InChI InChI=1S/C29H36N2O5/c1-21-11-12-27-24(17-21)20-25(29(33)36-27)19-23(28(32)30-34)9-5-7-22-8-6-10-26(18-22)35-16-15-31-13-3-2-4-14-31/h6,8,10-12,17-18,20,23,34H,2-5,7,9,13-16,19H2,1H3,(H,30,32)
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n/an/a 0.270n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332480
PNG
(4-(4-(2-(Diethylamino)ethoxy)phenyl)-2-((7-methyl-...)
Show SMILES CCN(CC)CCOc1ccc(CCC(Cc2cc3ccc(C)cc3oc2=O)C(=O)NO)cc1
Show InChI InChI=1S/C27H34N2O5/c1-4-29(5-2)14-15-33-24-12-8-20(9-13-24)7-11-22(26(30)28-32)18-23-17-21-10-6-19(3)16-25(21)34-27(23)31/h6,8-10,12-13,16-17,22,32H,4-5,7,11,14-15,18H2,1-3H3,(H,28,30)
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n/an/a 0.280n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332470
PNG
(CHEMBL1630100 | N-Hydroxy-4-(4-hydroxyphenyl)-2-((...)
Show SMILES Cc1ccc2oc(=O)c(CC(CCc3ccc(O)cc3)C(=O)NO)cc2c1
Show InChI InChI=1S/C21H21NO5/c1-13-2-9-19-16(10-13)12-17(21(25)27-19)11-15(20(24)22-26)6-3-14-4-7-18(23)8-5-14/h2,4-5,7-10,12,15,23,26H,3,6,11H2,1H3,(H,22,24)
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n/an/a 0.300n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50063915
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-3-methyl-N*1*-[(S)...)
Show SMILES CNC(=O)[C@H](Cc1cccc2CCCCc12)NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO
Show InChI InChI=1S/C23H35N3O4/c1-14(2)12-19(15(3)21(27)26-30)22(28)25-20(23(29)24-4)13-17-10-7-9-16-8-5-6-11-18(16)17/h7,9-10,14-15,19-20,30H,5-6,8,11-13H2,1-4H3,(H,24,29)(H,25,28)(H,26,27)/t15-,19+,20-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TACE (unknown origin) using fluorogenic LAQAVRSSSR peptide as a substrate by fluorometric assay

Citation and Details

Article DOI: 10.1007/s00044-010-9385-3
BindingDB Entry DOI: 10.7270/Q2HQ42RQ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50082946
PNG
((2R,3S)-2-(7-Bromo-2-methyl-4-oxo-3,4-dihydro-quin...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](OCc1cc2c(cc1Br)nc(C)[nH]c2=O)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C25H36BrN5O6/c1-12(2)8-16(22(33)30-20(24(35)27-7)25(4,5)6)19(23(34)31-36)37-11-14-9-15-18(10-17(14)26)28-13(3)29-21(15)32/h9-10,12,16,19-20,36H,8,11H2,1-7H3,(H,27,35)(H,30,33)(H,31,34)(H,28,29,32)/t16-,19+,20-/m1/s1
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n/an/a 0.330n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against Tumor necrosis factor alpha-converting enzyme (TACE) in blood.

J Med Chem 42: 4890-908 (1999)


BindingDB Entry DOI: 10.7270/Q2HM57NS
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50082959
PNG
((2R,3S)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-p...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](OCc1cccc2ccccc12)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C26H37N3O5/c1-16(2)14-20(23(30)28-22(25(32)27-6)26(3,4)5)21(24(31)29-33)34-15-18-12-9-11-17-10-7-8-13-19(17)18/h7-13,16,20-22,33H,14-15H2,1-6H3,(H,27,32)(H,28,30)(H,29,31)/t20-,21+,22-/m1/s1
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n/an/a 0.330n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against Tumor necrosis factor alpha-converting enzyme (TACE) in blood.

J Med Chem 42: 4890-908 (1999)


BindingDB Entry DOI: 10.7270/Q2HM57NS
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50236612
PNG
(CHEMBL4071465)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CCC[C@]2(O)C(=O)NO)c2ccccc2n1 |r|
Show InChI InChI=1S/C23H25N3O6S/c1-15-13-16(19-5-2-3-6-20(19)24-15)14-32-17-8-10-18(11-9-17)33(30,31)26-21-7-4-12-23(21,28)22(27)25-29/h2-3,5-6,8-11,13,21,26,28-29H,4,7,12,14H2,1H3,(H,25,27)/t21-,23-/m1/s1
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n/an/a 0.398n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant TACE catalytic domain (unknown origin) using Abz-LAQAVRSSSR-Dpa as substrate preincubated for 10 mins followed by substrate...

Bioorg Med Chem Lett 27: 1848-1853 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.035
BindingDB Entry DOI: 10.7270/Q28S4S59
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50082983
PNG
((2R,3S)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-p...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](OCc1cccc2cccnc12)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C25H36N4O5/c1-15(2)13-18(22(30)28-21(24(32)26-6)25(3,4)5)20(23(31)29-33)34-14-17-10-7-9-16-11-8-12-27-19(16)17/h7-12,15,18,20-21,33H,13-14H2,1-6H3,(H,26,32)(H,28,30)(H,29,31)/t18-,20+,21-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against Tumor necrosis factor alpha-converting enzyme (TACE) in blood.

J Med Chem 42: 4890-908 (1999)


BindingDB Entry DOI: 10.7270/Q2HM57NS
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50236612
PNG
(CHEMBL4071465)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CCC[C@]2(O)C(=O)NO)c2ccccc2n1 |r|
Show InChI InChI=1S/C23H25N3O6S/c1-15-13-16(19-5-2-3-6-20(19)24-15)14-32-17-8-10-18(11-9-17)33(30,31)26-21-7-4-12-23(21,28)22(27)25-29/h2-3,5-6,8-11,13,21,26,28-29H,4,7,12,14H2,1H3,(H,25,27)/t21-,23-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Displacement of [3H]- PDBu from Protein kinase C gamma C1b domain

Bioorg Med Chem Lett 27: 1848-1853 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.035
BindingDB Entry DOI: 10.7270/Q28S4S59
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50063918
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO
Show InChI InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TACE (unknown origin) using fluorogenic LAQAVRSSSR peptide as a substrate by fluorometric assay

Citation and Details

Article DOI: 10.1007/s00044-010-9385-3
BindingDB Entry DOI: 10.7270/Q2HQ42RQ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50082974
PNG
((2S,3S)-2-(3,5-Dichloro-phenylsulfanyl)-N*4*-((S)-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](Sc1cc(Cl)cc(Cl)c1)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C21H31Cl2N3O4S/c1-11(2)7-15(18(27)25-17(20(29)24-6)21(3,4)5)16(19(28)26-30)31-14-9-12(22)8-13(23)10-14/h8-11,15-17,30H,7H2,1-6H3,(H,24,29)(H,25,27)(H,26,28)/t15-,16+,17-/m1/s1
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n/an/a 0.420n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against Tumor necrosis factor alpha-converting enzyme (TACE) in blood.

J Med Chem 42: 4890-908 (1999)


BindingDB Entry DOI: 10.7270/Q2HM57NS
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50082993
PNG
((2R,3S)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-p...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](OCc1ccc2nc(C)[nH]c(=O)c2c1)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C25H37N5O6/c1-13(2)10-17(22(32)29-20(24(34)26-7)25(4,5)6)19(23(33)30-35)36-12-15-8-9-18-16(11-15)21(31)28-14(3)27-18/h8-9,11,13,17,19-20,35H,10,12H2,1-7H3,(H,26,34)(H,29,32)(H,30,33)(H,27,28,31)/t17-,19+,20-/m1/s1
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n/an/a 0.430n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against Tumor necrosis factor alpha-converting enzyme (TACE) in blood.

J Med Chem 42: 4890-908 (1999)


BindingDB Entry DOI: 10.7270/Q2HM57NS
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50082948
PNG
((2R,3S)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-p...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](OCc1cc2ccccc2n(C)c1=O)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C26H38N4O6/c1-15(2)12-18(22(31)28-21(24(33)27-6)26(3,4)5)20(23(32)29-35)36-14-17-13-16-10-8-9-11-19(16)30(7)25(17)34/h8-11,13,15,18,20-21,35H,12,14H2,1-7H3,(H,27,33)(H,28,31)(H,29,32)/t18-,20+,21-/m1/s1
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n/an/a 0.440n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against Tumor necrosis factor alpha-converting enzyme (TACE) in blood.

J Med Chem 42: 4890-908 (1999)


BindingDB Entry DOI: 10.7270/Q2HM57NS
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332479
PNG
(4-(4-(2-(Diethylamino)ethoxy)phenyl)-2-((7-fluoro-...)
Show SMILES CCN(CC)CCOc1ccc(CCC(Cc2cc3ccc(F)cc3oc2=O)C(=O)NO)cc1
Show InChI InChI=1S/C26H31FN2O5/c1-3-29(4-2)13-14-33-23-11-6-18(7-12-23)5-8-20(25(30)28-32)16-21-15-19-9-10-22(27)17-24(19)34-26(21)31/h6-7,9-12,15,17,20,32H,3-5,8,13-14,16H2,1-2H3,(H,28,30)
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n/an/a 0.460n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50168742
PNG
((2R,3R)-3-Hydroxy-3-methyl-1-[4-(quinolin-8-ylmeth...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2cccc3cccnc23)cc1
Show InChI InChI=1S/C23H25N3O6S/c1-23(28)12-4-14-26(21(23)22(27)25-29)33(30,31)19-10-8-18(9-11-19)32-15-17-6-2-5-16-7-3-13-24-20(16)17/h2-3,5-11,13,21,28-29H,4,12,14-15H2,1H3,(H,25,27)/t21-,23+/m0/s1
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n/an/a 0.480n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood

Bioorg Med Chem Lett 15: 3385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.037
BindingDB Entry DOI: 10.7270/Q25D8RCC
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50236605
PNG
(CHEMBL4071782)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CCOC[C@]2(C)C(=O)NO)c2ccccc2n1 |r|
Show InChI InChI=1S/C24H27N3O6S/c1-16-13-17(20-5-3-4-6-21(20)25-16)14-33-18-7-9-19(10-8-18)34(30,31)27-22-11-12-32-15-24(22,2)23(28)26-29/h3-10,13,22,27,29H,11-12,14-15H2,1-2H3,(H,26,28)/t22-,24+/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]- SCH 23390 from the dopamine receptor D1 of bovine striatal membrane

Bioorg Med Chem Lett 27: 1848-1853 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.035
BindingDB Entry DOI: 10.7270/Q28S4S59
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50236633
PNG
(CHEMBL4094122)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CCN(C[C@@H]2C(=O)NO)C(=O)OC(C)(C)C)c2ccccc2n1 |r|
Show InChI InChI=1S/C28H34N4O7S/c1-18-15-19(22-7-5-6-8-24(22)29-18)17-38-20-9-11-21(12-10-20)40(36,37)31-25-13-14-32(16-23(25)26(33)30-35)27(34)39-28(2,3)4/h5-12,15,23,25,31,35H,13-14,16-17H2,1-4H3,(H,30,33)/t23-,25+/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant TACE catalytic domain (unknown origin) using Abz-LAQAVRSSSR-Dpa as substrate preincubated for 10 mins followed by substrate...

Bioorg Med Chem Lett 27: 1848-1853 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.035
BindingDB Entry DOI: 10.7270/Q28S4S59
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50224961
PNG
(2-benzyl-N-hydroxy-3-(6-methyl-2-oxo-2H-chromen-3-...)
Show SMILES Cc1ccc2oc(=O)c(CC(Cc3ccccc3)C(=O)NO)cc2c1 |w:10.10|
Show InChI InChI=1S/C20H19NO4/c1-13-7-8-18-15(9-13)11-17(20(23)25-18)12-16(19(22)21-24)10-14-5-3-2-4-6-14/h2-9,11,16,24H,10,12H2,1H3,(H,21,22)
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n/an/a 0.5n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50236605
PNG
(CHEMBL4071782)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CCOC[C@]2(C)C(=O)NO)c2ccccc2n1 |r|
Show InChI InChI=1S/C24H27N3O6S/c1-16-13-17(20-5-3-4-6-21(20)25-16)14-33-18-7-9-19(10-8-18)34(30,31)27-22-11-12-32-15-24(22,2)23(28)26-29/h3-10,13,22,27,29H,11-12,14-15H2,1-2H3,(H,26,28)/t22-,24+/m1/s1
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n/an/a 0.501n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant mammalian protein Farnesyltransferase expressed in baculovirus

Bioorg Med Chem Lett 27: 1848-1853 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.035
BindingDB Entry DOI: 10.7270/Q28S4S59
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50236633
PNG
(CHEMBL4094122)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CCN(C[C@@H]2C(=O)NO)C(=O)OC(C)(C)C)c2ccccc2n1 |r|
Show InChI InChI=1S/C28H34N4O7S/c1-18-15-19(22-7-5-6-8-24(22)29-18)17-38-20-9-11-21(12-10-20)40(36,37)31-25-13-14-32(16-23(25)26(33)30-35)27(34)39-28(2,3)4/h5-12,15,23,25,31,35H,13-14,16-17H2,1-4H3,(H,30,33)/t23-,25+/m0/s1
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Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant TACE catalytic domain (unknown origin) using Abz-LAQAVRSSSR-Dpa as substrate preincubated for 10 mins followed by substrate...

Bioorg Med Chem Lett 27: 1848-1853 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.035
BindingDB Entry DOI: 10.7270/Q28S4S59
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332478
PNG
(4-(4-(2-(Diethylamino)ethoxy)phenyl)-2-((6-methyl-...)
Show SMILES CCN(CC)CCOc1ccc(CCC(Cc2cc3cc(C)ccc3oc2=O)C(=O)NO)cc1
Show InChI InChI=1S/C27H34N2O5/c1-4-29(5-2)14-15-33-24-11-8-20(9-12-24)7-10-21(26(30)28-32)17-23-18-22-16-19(3)6-13-25(22)34-27(23)31/h6,8-9,11-13,16,18,21,32H,4-5,7,10,14-15,17H2,1-3H3,(H,28,30)
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n/an/a 0.530n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50082942
PNG
((2R,3S)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-p...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](NS(=O)(=O)\C=C\c1ccccc1)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C23H36N4O6S/c1-15(2)14-17(20(28)25-19(22(30)24-6)23(3,4)5)18(21(29)26-31)27-34(32,33)13-12-16-10-8-7-9-11-16/h7-13,15,17-19,27,31H,14H2,1-6H3,(H,24,30)(H,25,28)(H,26,29)/b13-12+/t17-,18+,19-/m1/s1
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n/an/a 0.540n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against Tumor necrosis factor alpha-converting enzyme (TACE) in blood.

J Med Chem 42: 4890-908 (1999)


BindingDB Entry DOI: 10.7270/Q2HM57NS
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM26526
PNG
((2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylqui...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r|
Show InChI InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1
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n/an/a 0.560n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE in human whole blood assay

Bioorg Med Chem Lett 17: 34-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50082963
PNG
((2R,3S)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-p...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](NS(=O)(=O)c1ccc2nc[nH]c(=O)c2c1)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C23H34N6O7S/c1-12(2)9-15(20(31)27-18(22(33)24-6)23(3,4)5)17(21(32)28-34)29-37(35,36)13-7-8-16-14(10-13)19(30)26-11-25-16/h7-8,10-12,15,17-18,29,34H,9H2,1-6H3,(H,24,33)(H,27,31)(H,28,32)(H,25,26,30)/t15-,17+,18-/m1/s1
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n/an/a 0.570n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against Tumor necrosis factor alpha-converting enzyme (TACE) in blood.

J Med Chem 42: 4890-908 (1999)


BindingDB Entry DOI: 10.7270/Q2HM57NS
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50082988
PNG
((2R,3S)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-p...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](NCc1ccc2ccccc2c1)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C26H38N4O4/c1-16(2)13-20(23(31)29-22(25(33)27-6)26(3,4)5)21(24(32)30-34)28-15-17-11-12-18-9-7-8-10-19(18)14-17/h7-12,14,16,20-22,28,34H,13,15H2,1-6H3,(H,27,33)(H,29,31)(H,30,32)/t20-,21+,22-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against Tumor necrosis factor alpha-converting enzyme (TACE) in blood.

J Med Chem 42: 4890-908 (1999)


BindingDB Entry DOI: 10.7270/Q2HM57NS
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50236621
PNG
(CHEMBL4078142)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)NO)c2ccccc2n1 |r|
Show InChI InChI=1S/C23H25N3O5S/c1-15-13-16(19-5-2-3-7-21(19)24-15)14-31-17-9-11-18(12-10-17)32(29,30)26-22-8-4-6-20(22)23(27)25-28/h2-3,5,7,9-13,20,22,26,28H,4,6,8,14H2,1H3,(H,25,27)/t20-,22+/m0/s1
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Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant TACE catalytic domain (unknown origin) using Abz-LAQAVRSSSR-Dpa as substrate preincubated for 10 mins followed by substrate...

Bioorg Med Chem Lett 27: 1848-1853 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.035
BindingDB Entry DOI: 10.7270/Q28S4S59
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50236636
PNG
(CHEMBL4105513)
Show SMILES CN([C@@H]1CN(C[C@@H]1C(=O)NO)S(C)(=O)=O)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 |r|
Show InChI InChI=1S/C24H28N4O7S2/c1-16-12-17(20-6-4-5-7-22(20)25-16)15-35-18-8-10-19(11-9-18)37(33,34)27(2)23-14-28(36(3,31)32)13-21(23)24(29)26-30/h4-12,21,23,30H,13-15H2,1-3H3,(H,26,29)/t21-,23+/m0/s1
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Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant TACE catalytic domain (unknown origin) using Abz-LAQAVRSSSR-Dpa as substrate preincubated for 10 mins followed by substrate...

Bioorg Med Chem Lett 27: 1848-1853 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.035
BindingDB Entry DOI: 10.7270/Q28S4S59
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50236593
PNG
(CHEMBL4096933)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CN(C[C@@H]2C(=O)NO)C(=O)OC(C)(C)C)c2ccccc2n1 |r|
Show InChI InChI=1S/C27H32N4O7S/c1-17-13-18(21-7-5-6-8-23(21)28-17)16-37-19-9-11-20(12-10-19)39(35,36)30-24-15-31(14-22(24)25(32)29-34)26(33)38-27(2,3)4/h5-13,22,24,30,34H,14-16H2,1-4H3,(H,29,32)/t22-,24+/m0/s1
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Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant TACE catalytic domain (unknown origin) using Abz-LAQAVRSSSR-Dpa as substrate preincubated for 10 mins followed by substrate...

Bioorg Med Chem Lett 27: 1848-1853 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.035
BindingDB Entry DOI: 10.7270/Q28S4S59
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50236621
PNG
(CHEMBL4078142)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)NO)c2ccccc2n1 |r|
Show InChI InChI=1S/C23H25N3O5S/c1-15-13-16(19-5-2-3-7-21(19)24-15)14-31-17-9-11-18(12-10-17)32(29,30)26-22-8-4-6-20(22)23(27)25-28/h2-3,5,7,9-13,20,22,26,28H,4,6,8,14H2,1H3,(H,25,27)/t20-,22+/m0/s1
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Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TACE catalytic domain (unknown origin) using pro-TNFalpha peptide Abz-LAQAVRSSSR-Dpa as substrate preincubated for 10 mins ...

J Med Chem 60: 527-553 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00935
BindingDB Entry DOI: 10.7270/Q29C70V2
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50082949
PNG
((2R,3S)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-p...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](OCc1ccc2ccccc2c1)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C26H37N3O5/c1-16(2)13-20(23(30)28-22(25(32)27-6)26(3,4)5)21(24(31)29-33)34-15-17-11-12-18-9-7-8-10-19(18)14-17/h7-12,14,16,20-22,33H,13,15H2,1-6H3,(H,27,32)(H,28,30)(H,29,31)/t20-,21+,22-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against Tumor necrosis factor alpha-converting enzyme (TACE) in blood.

J Med Chem 42: 4890-908 (1999)


BindingDB Entry DOI: 10.7270/Q2HM57NS
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50236610
PNG
(CHEMBL4105045)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CCN(C[C@]2(C)C(=O)NO)C=O)c2ccccc2n1 |r|
Show InChI InChI=1S/C25H28N4O6S/c1-17-13-18(21-5-3-4-6-22(21)26-17)14-35-19-7-9-20(10-8-19)36(33,34)28-23-11-12-29(16-30)15-25(23,2)24(31)27-32/h3-10,13,16,23,28,32H,11-12,14-15H2,1-2H3,(H,27,31)/t23-,25+/m1/s1
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Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant TACE catalytic domain (unknown origin) using Abz-LAQAVRSSSR-Dpa as substrate preincubated for 10 mins followed by substrate...

Bioorg Med Chem Lett 27: 1848-1853 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.035
BindingDB Entry DOI: 10.7270/Q28S4S59
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50236613
PNG
(CHEMBL4069898)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CCC[C@]2(C)C(=O)NO)c2ccccc2n1 |r|
Show InChI InChI=1S/C24H27N3O5S/c1-16-14-17(20-6-3-4-7-21(20)25-16)15-32-18-9-11-19(12-10-18)33(30,31)27-22-8-5-13-24(22,2)23(28)26-29/h3-4,6-7,9-12,14,22,27,29H,5,8,13,15H2,1-2H3,(H,26,28)/t22-,24+/m1/s1
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Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant TACE catalytic domain (unknown origin) using Abz-LAQAVRSSSR-Dpa as substrate preincubated for 10 mins followed by substrate...

Bioorg Med Chem Lett 27: 1848-1853 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.035
BindingDB Entry DOI: 10.7270/Q28S4S59
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50236630
PNG
(CHEMBL4076142)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CCC[C@]2(F)C(=O)NO)c2ccccc2n1 |r|
Show InChI InChI=1S/C23H24FN3O5S/c1-15-13-16(19-5-2-3-6-20(19)25-15)14-32-17-8-10-18(11-9-17)33(30,31)27-21-7-4-12-23(21,24)22(28)26-29/h2-3,5-6,8-11,13,21,27,29H,4,7,12,14H2,1H3,(H,26,28)/t21-,23-/m1/s1
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Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant TACE catalytic domain (unknown origin) using Abz-LAQAVRSSSR-Dpa as substrate preincubated for 10 mins followed by substrate...

Bioorg Med Chem Lett 27: 1848-1853 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.035
BindingDB Entry DOI: 10.7270/Q28S4S59
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50236627
PNG
(CHEMBL4102282)
Show SMILES CC(=O)N1C[C@@H](NS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO |r|
Show InChI InChI=1S/C24H26N4O6S/c1-15-11-17(20-5-3-4-6-22(20)25-15)14-34-18-7-9-19(10-8-18)35(32,33)27-23-13-28(16(2)29)12-21(23)24(30)26-31/h3-11,21,23,27,31H,12-14H2,1-2H3,(H,26,30)/t21-,23+/m0/s1
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Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant TACE catalytic domain (unknown origin) using Abz-LAQAVRSSSR-Dpa as substrate preincubated for 10 mins followed by substrate...

Bioorg Med Chem Lett 27: 1848-1853 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.035
BindingDB Entry DOI: 10.7270/Q28S4S59
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50236599
PNG
(CHEMBL4105634)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)NO)c2ccccc2n1 |r|
Show InChI InChI=1S/C22H23N3O6S/c1-14-10-15(18-4-2-3-5-20(18)23-14)11-31-16-6-8-17(9-7-16)32(28,29)25-21-13-30-12-19(21)22(26)24-27/h2-10,19,21,25,27H,11-13H2,1H3,(H,24,26)/t19-,21+/m0/s1
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Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant TACE catalytic domain (unknown origin) using Abz-LAQAVRSSSR-Dpa as substrate preincubated for 10 mins followed by substrate...

Bioorg Med Chem Lett 27: 1848-1853 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.035
BindingDB Entry DOI: 10.7270/Q28S4S59
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50236615
PNG
(CHEMBL4076782)
Show SMILES CN([C@@H]1CCC[C@]1(CO)C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 |r|
Show InChI InChI=1S/C25H29N3O6S/c1-17-14-18(21-6-3-4-7-22(21)26-17)15-34-19-9-11-20(12-10-19)35(32,33)28(2)23-8-5-13-25(23,16-29)24(30)27-31/h3-4,6-7,9-12,14,23,29,31H,5,8,13,15-16H2,1-2H3,(H,27,30)/t23-,25-/m1/s1
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Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant TACE catalytic domain (unknown origin) using Abz-LAQAVRSSSR-Dpa as substrate preincubated for 10 mins followed by substrate...

Bioorg Med Chem Lett 27: 1848-1853 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.035
BindingDB Entry DOI: 10.7270/Q28S4S59
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50236617
PNG
(CHEMBL4080774)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@]2(C)CCCC[C@@H]2C(=O)NO)c2ccccc2n1 |r|
Show InChI InChI=1S/C25H29N3O5S/c1-17-15-18(21-7-3-4-9-23(21)26-17)16-33-19-10-12-20(13-11-19)34(31,32)28-25(2)14-6-5-8-22(25)24(29)27-30/h3-4,7,9-13,15,22,28,30H,5-6,8,14,16H2,1-2H3,(H,27,29)/t22-,25-/m1/s1
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Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant TACE catalytic domain (unknown origin) using Abz-LAQAVRSSSR-Dpa as substrate preincubated for 10 mins followed by substrate...

Bioorg Med Chem Lett 27: 1848-1853 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.035
BindingDB Entry DOI: 10.7270/Q28S4S59
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50236624
PNG
(CHEMBL4097420)
Show SMILES [H][C@]12CC[C@]([H])(C1)[C@@H]([C@@H]2NS(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r|
Show InChI InChI=1S/C25H27N3O5S/c1-15-12-18(21-4-2-3-5-22(21)26-15)14-33-19-8-10-20(11-9-19)34(31,32)28-24-17-7-6-16(13-17)23(24)25(29)27-30/h2-5,8-12,16-17,23-24,28,30H,6-7,13-14H2,1H3,(H,27,29)/t16-,17+,23+,24-/m1/s1
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Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of 0.5 nM [3H]nisoxetine binding to Norepinephrine transporter

Bioorg Med Chem Lett 27: 1848-1853 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.035
BindingDB Entry DOI: 10.7270/Q28S4S59
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50236573
PNG
(CHEMBL4082009)
Show SMILES CN([C@@H]1CCC[C@@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 |r|
Show InChI InChI=1S/C24H27N3O5S/c1-16-14-17(20-6-3-4-8-22(20)25-16)15-32-18-10-12-19(13-11-18)33(30,31)27(2)23-9-5-7-21(23)24(28)26-29/h3-4,6,8,10-14,21,23,29H,5,7,9,15H2,1-2H3,(H,26,28)/t21-,23+/m0/s1
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Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit high-affinity uptake of [3H]NE into parietal and occipital cortex in rat

Bioorg Med Chem Lett 27: 1848-1853 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.035
BindingDB Entry DOI: 10.7270/Q28S4S59
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50236574
PNG
(CHEMBL4100854)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@H]2CCN(C[C@H]2C(=O)NO)C(=O)NC(C)(C)C)c2ccccc2n1 |r|
Show InChI InChI=1S/C28H35N5O6S/c1-18-15-19(22-7-5-6-8-24(22)29-18)17-39-20-9-11-21(12-10-20)40(37,38)32-25-13-14-33(16-23(25)26(34)31-36)27(35)30-28(2,3)4/h5-12,15,23,25,32,36H,13-14,16-17H2,1-4H3,(H,30,35)(H,31,34)/t23-,25+/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant TACE catalytic domain (unknown origin) using Abz-LAQAVRSSSR-Dpa as substrate preincubated for 10 mins followed by substrate...

Bioorg Med Chem Lett 27: 1848-1853 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.035
BindingDB Entry DOI: 10.7270/Q28S4S59
More data for this
Ligand-Target Pair
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