Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T82393 | Target Info | |||
| Target Name | TNF alpha converting enzyme (ADAM17) | ||||
| Synonyms |
TNFalpha converting enzyme; TNF-alpha-converting enzyme; TNF-alpha converting enzyme; TNF-alpha convertase; TACE; Snake venom-like protease; Disintegrin and metalloproteinase domain-containing protein 17; CSVP; CD156b antigen; CD156b; ADAM 17; A disintegrin and metalloproteinase domain 17
Click to Show/Hide
|
||||
| Target Type | Clinical trial Target | ||||
| Gene Name | ADAM17 | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 38 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
RO-319790
Click to Show/Hide
|
Terminated | Compound Info | ||
| Synonyms |
Ro-31-9790; CHEMBL16520; Ro 31-9790; (R)-N1-((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-N4-hydroxy-2-isobutylsuccinamide; SCHEMBL4633699; QRXOZHSEEGNRFC-ZYHUDNBSSA-N; ZINC1534591; BDBM50063920; CS-6682; HY-101703
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
(+/-)5-(biphenyl-4-yl)-3-hydroxypentanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL572982; (+/-)5-(biphenyl-4-yl)-3-hydroxypentanoic acid; SCHEMBL5613354; ILGSIIFHQGOKKV-UHFFFAOYSA-N; BDBM50300465; 5-biphenyl-4-yl-3-hydroxy-pentanoic acid; 5-(biphenyl-4-yl)-3-hydroxypentanoic acid
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 98000 nM
|
[2] | |||
| Compound Name |
RXP470.1
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
RXP470.1; CHEMBL507420; N-[(2s)-3-[(S)-(4-Bromophenyl)(Hydroxy)phosphoryl]-2-{[3-(3'-Chlorobiphenyl-4-Yl)-1,2-Oxazol-5-Yl]methyl}propanoyl]-L-Alpha-Glutamyl-L-Alpha-Glutamine; R47; GTPL7812; BDBM50265078; (4S)-5-amino-4-((2S)-2-((2S)-3-((4-bromophenyl)(hydroxy)phosphoryl)-2-((3-(3''-chlorobiphenyl-4-yl)isoxazol-5-yl)methyl)propanamido)-4-carboxybutanamido)-5-oxopentanoic acid
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[3] | |||
| Compound Name |
ARP100
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
ARP 100; ARP-100
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
Cis-2-aminocyclohexylcarbamoylphosphonic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
cis-ACCP; cis-2-aminocyclohexylcarbamoylphosphonic acid; 777075-44-2; CHEMBL270083; SCHEMBL569075; C7H15N2O4P; CTK8E9417; MolPort-039-139-066; BDBM50234465; 1683AH; ZINC29134634
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
2-(benzyloxyamino)-N-hydroxyhexanamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL228230; 2-(benzyloxyamino)-N-hydroxyhexanamide
Click to Show/Hide
|
||||
| Activity |
IC50 = 100000 nM
|
[5] | |||
| Compound Name |
beta-Sulfonyl hydroxamate analogue, 11
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL236574; BDBM23503
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 50000 nM
|
[6] | |||
| Compound Name |
Methyl (1S,3R)-6-{3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-methyl-4-oxo-5-azaspiro[2.4]heptane-1-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL467020; SCHEMBL13701065; BDBM26541; methyl ester-spirocyclopropyl compound, 26
Click to Show/Hide
|
||||
| Activity |
Ki ~ 50000 nM
|
[7] | |||
| Compound Name |
CID 66560022
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2164122; SCHEMBL17809497; BDBM50395678
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 50000 nM
|
[8] | |||
| Compound Name |
(3S,6R,7S)-6-Hexyl-7-(hydroxyaminocarbonyl)-5-oxo-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(15),12(16),13-triene-3-carboxylic acid methyl ester
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL328351; BDBM50409240
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 50000 nM
|
[9] | |||
| Compound Name |
5-(4-Fluorophenyl)-5-[(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)methyl]imidazolidine-2,4-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1087932; BDBM50313828
Click to Show/Hide
|
||||
| Activity |
Ki ~ 50000 nM
|
[10] | |||
| Compound Name |
2-[[4-[(3,5-Dibromophenyl)methoxy]phenyl]sulfonylamino]acetic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2431023; BDBM50441229
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 50000 nM
|
[11] | |||
| Compound Name |
CID 66559934
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2164120; SCHEMBL17814861; BDBM50395680
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 50000 nM
|
[8] | |||
| Compound Name |
CID 66560021
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2164121; SCHEMBL17809496; BDBM50395679
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 50000 nM
|
[8] | |||
| Compound Name |
beta-Sulfonyl hydroxamate analogue, 28
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL394003; BDBM23514
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 50000 nM
|
[6] | |||
| Compound Name |
N-Hydroxy-2-(N-isobutylbiphenyl-4-ylsulfonamido)acetamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL561625; BDBM50294119
Click to Show/Hide
|
||||
| Activity |
IC50 = 53000 nM
|
[12] | |||
| Compound Name |
(2R,4S)-1-[4-[(4-Chlorophenyl)methoxy]phenyl]sulfonyl-N,4-dihydroxypiperidine-2-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL31776; BDBM50113035
Click to Show/Hide
|
||||
| Activity |
IC50 = 58000 nM
|
[13] | |||
| Compound Name |
(2R,5R)-1-[4-[(3-Cyanophenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL28678; BDBM50113026
Click to Show/Hide
|
||||
| Activity |
IC50 = 63000 nM
|
[13] | |||
| Compound Name |
N-Hydroxy-2-(2-(4-methoxyphenylsulfonyl)phenyl)acetamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL573714; BDBM50299053
Click to Show/Hide
|
||||
| Activity |
IC50 = 67000 nM
|
[5] | |||
| Compound Name |
Cruzain-IN-1
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
ML092; CHEMBL567341; MMV676881; 6-(3,5-difluoroanilino)-9-ethyl-2-purinecarbonitrile; 6-(3,5-difluoroanilino)-9-ethylpurine-2-carbonitrile; 6-(3,5-Difluorophenylamino)-9-ethyl-9H-purine-2-carbonitrile; 6-[(3,5-difluorophenyl)amino]-9-ethyl-9H-purine-2-carbonitrile; Cruzain-IN-1ML092; Cruzain-IN-1;ML-092; ML092 Cruzain-IN-1; MLS002471782; HMS2203P24; HMS3332L09; BCP29960; BDBM50303420; NCGC00181918-01; NCGC00181918-02; BS-14613; HY-10836; ML092;ML 092;ML-092; SMR001395197; CS-0002855; S0722; Q27164166
Click to Show/Hide
|
||||
| Activity |
IC50 = 74131.02 nM
|
[14] | |||
| Compound Name |
(2R,4S)-1-[4-[(4-Cyanophenyl)methoxy]phenyl]sulfonyl-N,4-dihydroxypiperidine-2-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL414597; BDBM50113042
Click to Show/Hide
|
||||
| Activity |
IC50 = 77000 nM
|
[13] | |||
| Compound Name |
(5S)-4-(Cyclobutylmethyl)-1-[(2S)-1-[(2S)-2-[[(6S)-2,3-dioxo-6-propylpiperazin-1-yl]methyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-2-yl]-5-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3593359; BDBM50104635
Click to Show/Hide
|
||||
| Activity |
IC50 = 94000 nM
|
[15] | |||
| Compound Name |
5-Methyl-5-[6-(2-methyl-quinolin-4-ylmethoxy)-naphthalen-2-yl]-pyrimidine-2,4,6-trione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL366060; BDBM50167496
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[16] | |||
| Compound Name |
Rac-3-(2-(4-(but-2-ynyloxy)phenylsulfonamido)-2-carboxyethyl)-1-methyl-1H-indole-5-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL496859; SCHEMBL3851885; BDBM50278975
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[17] | |||
| Compound Name |
5-(4-Benzyloxy-phenyl)-5-methyl-pyrimidine-2,4,6-trione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL373311; BDBM50167489
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[16] | |||
| Compound Name |
(2R)-2-[[4-[4-[(4-Chlorophenyl)methoxy]phenyl]phenyl]sulfonyl-propan-2-yloxyamino]-N-hydroxy-3-methylbutanamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL550548; BDBM50294131; (R)-2-(4''-(4-Chlorobenzyloxy)-N-isopropoxybiphenyl-4-ylsulfonamido)-N-hydroxy-3-methylbutanamide
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
(5S)-4-[2-(1-Adamantyl)ethyl]-5-[(4-hydroxyphenyl)methyl]-1-[(2R)-1-[(2S)-2-[[(6R)-6-[(4-hydroxyphenyl)methyl]-2,3-dioxopiperazin-1-yl]methyl]pyrrolidin-1-yl]-3-naphthalen-2-ylpropan-2-yl]piperazine-2,3-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3593550; BDBM50104622
Click to Show/Hide
|
||||
| Activity |
IC50 = 100000 nM
|
[15] | |||
| Compound Name |
N-(Carboxymethyl)-N-(3-Phenylpropyl)glycyl-N-Methyl-L-Histidinamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3235416; SCHEMBL12198648; BDBM50005641; Q27463133
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[18] | |||
| Compound Name |
trans-2-Aminocyclohexylcarbamoylphosphonic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL270296; SCHEMBL4854279; BDBM50372742; ZINC29134636; [(1R,2R)-2-aminocyclohexyl]carbamoylphosphonic acid
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[19] | |||
| Compound Name |
Rac-3-(2-(4-(but-2-ynyloxy)phenylsulfonamido)-2-carboxyethyl)-1-ethyl-1H-indole-5-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL498054; SCHEMBL3858221; BDBM50278976
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[17] | |||
| Compound Name |
Rac-1-benzyl-3-(2-(4-(but-2-ynyloxy)phenylsulfonamido)-2-carboxyethyl)-1H-indole-5-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL524915; SCHEMBL3853719; BDBM50278977
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[17] | |||
| Compound Name |
Methyl (1R,2S)-2-(hydroxycarbamoyl)-1-({4-[2-(naphthalen-2-yl)ethoxy]phenyl}methyl)cyclopropane-1-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
hydroxamate deriv., 84; CHEMBL411703; SCHEMBL13648096; BDBM23493
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[20] | |||
| Compound Name |
5-(4-Hydroxy-phenyl)-5-methyl-barbituric acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL191076; BDBM50167493; 5-(4-Hydroxy-phenyl)-5-methyl-pyrimidine-2,4,6-trione
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[16] | |||
| Compound Name |
Methyl (1R,2S)-2-(hydroxycarbamoyl)-1-({4-[2-(naphthalen-1-yl)ethoxy]phenyl}methyl)cyclopropane-1-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
hydroxamate deriv., 83; CHEMBL410870; SCHEMBL13648094; BDBM23492
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[20] | |||
| Compound Name |
(2S,5S)-N,5-Dihydroxy-1-(4-(2-iodobenzyloxy)phenylsulfonyl)piperidine-2-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL491286; BDBM50247895
Click to Show/Hide
|
||||
| Activity |
IC50 = 110000 nM
|
[21] | |||
| Compound Name |
2-[(5-Bromothiophen-2-yl)sulfonyl-propan-2-yloxyamino]-N-hydroxyacetamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3754100
Click to Show/Hide
|
||||
| Activity |
IC50 = 114000 nM
|
[5] | |||
| Compound Name |
2-[2-[4-[3-(1,3-Dioxoisoindol-2-yl)propoxy]phenyl]sulfonylphenyl]-N-hydroxyacetamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3751971
Click to Show/Hide
|
||||
| Activity |
IC50 = 150000 nM
|
[5] | |||
| Compound Name |
2-{Isopropoxy[(4-methoxyphenyl)sulfonyl]amino}-N-hydroxyacetamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL226439; BDBM50204371; N-hydroxy-2-(N-isopropoxy-4-methoxyphenylsulfonamido)acetamide
Click to Show/Hide
|
||||
| Activity |
IC50 = 180000 nM
|
[12] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | New alpha-substituted succinate-based hydroxamic acids as TNFalpha convertase inhibitors. J Med Chem. 1999 Nov 18;42(23):4890-908. | ||||
| REF 2 | The identification of beta-hydroxy carboxylic acids as selective MMP-12 inhibitors. Bioorg Med Chem Lett. 2009 Oct 1;19(19):5760-3. | ||||
| REF 3 | Specific targeting of metzincin family members with small-molecule inhibitors: progress toward a multifarious challenge. Bioorg Med Chem. 2008 Oct 1;16(19):8781-94. | ||||
| REF 4 | N-O-isopropyl sulfonamido-based hydroxamates: design, synthesis and biological evaluation of selective matrix metalloproteinase-13 inhibitors as potential therapeutic agents for osteoarthritis. J Med Chem. 2009 Aug 13;52(15):4757-73. | ||||
| REF 5 | Synthesis, experimental evaluation and molecular modelling of hydroxamate derivatives as zinc metalloproteinase inhibitors. Eur J Med Chem. 2016 Jan 27;108:141-153. | ||||
| REF 6 | Structure-based design of TACE selective inhibitors: manipulations in the S1'-S3' pocket. Bioorg Med Chem. 2007 Sep 15;15(18):6170-81. | ||||
| REF 7 | Discovery of novel spirocyclopropyl hydroxamate and carboxylate compounds as TACE inhibitors. Bioorg Med Chem Lett. 2009 Jan 1;19(1):54-7. | ||||
| REF 8 | Discovery of highly potent and selective small molecule ADAMTS-5 inhibitors that inhibit human cartilage degradation via encoded library technology (ELT). J Med Chem. 2012 Aug 23;55(16):7061-79. | ||||
| REF 9 | Design, synthesis, and structure-activity relationships of macrocyclic hydroxamic acids that inhibit tumor necrosis factor alpha release in vitro and in vivo. J Med Chem. 2001 Aug 2;44(16):2636-60. | ||||
| REF 10 | Discovery and SAR of hydantoin TACE inhibitors. Bioorg Med Chem Lett. 2010 Mar 15;20(6):1877-80. | ||||
| REF 11 | Selective arylsulfonamide inhibitors of ADAM-17: hit optimization and activity in ovarian cancer cell models. J Med Chem. 2013 Oct 24;56(20):8089-103. | ||||
| REF 12 | Potent arylsulfonamide inhibitors of tumor necrosis factor-alpha converting enzyme able to reduce activated leukocyte cell adhesion molecule sheddi... J Med Chem. 2010 Mar 25;53(6):2622-35. | ||||
| REF 13 | Synthesis and biological activity of selective pipecolic acid-based TNF-alpha converting enzyme (TACE) inhibitors. Bioorg Med Chem Lett. 2002 May 20;12(10):1387-90. | ||||
| REF 14 | Identification and optimization of inhibitors of Trypanosomal cysteine proteases: cruzain, rhodesain, and TbCatB. J Med Chem. 2010 Jan 14;53(1):52-60. | ||||
| REF 15 | SAR Studies of Exosite-Binding Substrate-Selective Inhibitors of A Disintegrin And Metalloprotease 17 (ADAM17) and Application as Selective in Vitro Probes. J Med Chem. 2015 Aug 13;58(15):5808-24. | ||||
| REF 16 | Non-hydroxamate 5-phenylpyrimidine-2,4,6-trione derivatives as selective inhibitors of tumor necrosis factor-alpha converting enzyme. Bioorg Med Chem Lett. 2005 Jun 15;15(12):2970-3. | ||||
| REF 17 | Synthesis and activity of tryptophan sulfonamide derivatives as novel non-hydroxamate TNF-alpha converting enzyme (TACE) inhibitors. Bioorg Med Chem. 2009 Jun 1;17(11):3857-65. | ||||
| REF 18 | Imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, substrate-dependent modulators of insulin-degrading enzyme in amyloid- hydrolysis. Eur J Med Chem. 2014 May 22;79:184-93. | ||||
| REF 19 | Carbamoylphosphonate matrix metalloproteinase inhibitors 6: cis-2-aminocyclohexylcarbamoylphosphonic acid, a novel orally active antimetastatic mat... J Med Chem. 2008 Mar 13;51(5):1406-14. | ||||
| REF 20 | Discovery of novel hydroxamates as highly potent tumor necrosis factor-alpha converting enzyme inhibitors: Part I--discovery of two binding modes. J Med Chem. 2008 Feb 28;51(4):725-36. | ||||
| REF 21 | Current perspective of TACE inhibitors: a review. Bioorg Med Chem. 2009 Jan 15;17(2):444-59. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.