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Compile Data Set for Download or QSAR

Found 96 hits of ic50 data for polymerid = 49001062   
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


(Mus musculus (Mouse))
BDBM50236601
PNG
(CHEMBL4067381)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CCN(C[C@@H]2C(=O)NO)C=O)c2ccccc2n1
Show InChI InChI=1S/C24H26N4O6S/c1-16-12-17(20-4-2-3-5-22(20)25-16)14-34-18-6-8-19(9-7-18)35(32,33)27-23-10-11-28(15-29)13-21(23)24(30)26-31/h2-9,12,15,21,23,27,31H,10-11,13-14H2,1H3,(H,26,30)/t21-,23+/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236601
PNG
(CHEMBL4067381)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CCN(C[C@@H]2C(=O)NO)C=O)c2ccccc2n1
Show InChI InChI=1S/C24H26N4O6S/c1-16-12-17(20-4-2-3-5-22(20)25-16)14-34-18-6-8-19(9-7-18)35(32,33)27-23-10-11-28(15-29)13-21(23)24(30)26-31/h2-9,12,15,21,23,27,31H,10-11,13-14H2,1H3,(H,26,30)/t21-,23+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236621
PNG
(CHEMBL4078142)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)NO)c2ccccc2n1
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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n/an/a 9n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]spiperone from the recombinant human dopamine receptor D2L stably expressed in CHO cells


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236619
PNG
(CHEMBL4070236)
Show SMILES CN([C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
Show InChI InChI=1S/C25H27N3O6S/c1-15-13-16(19-5-3-4-6-20(19)26-15)14-33-17-7-9-18(10-8-17)35(31,32)28(2)24-22-12-11-21(34-22)23(24)25(29)27-30/h3-10,13,21-24,30H,11-12,14H2,1-2H3,(H,27,29)/t21-,22+,23-,24+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236619
PNG
(CHEMBL4070236)
Show SMILES CN([C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
Show InChI InChI=1S/C25H27N3O6S/c1-15-13-16(19-5-3-4-6-20(19)26-15)14-33-17-7-9-18(10-8-17)35(31,32)28(2)24-22-12-11-21(34-22)23(24)25(29)27-30/h3-10,13,21-24,30H,11-12,14H2,1-2H3,(H,27,29)/t21-,22+,23-,24+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to integrin alphaIIb-beta3


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236621
PNG
(CHEMBL4078142)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)NO)c2ccccc2n1
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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n/an/a 10n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236599
PNG
(CHEMBL4105634)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)NO)c2ccccc2n1
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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n/an/a 12n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA binding to dopamine transporter of rat brain synaptosomes


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236599
PNG
(CHEMBL4105634)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)NO)c2ccccc2n1
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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n/an/a 13n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236598
PNG
(CHEMBL4099382)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C23H25N3O6S/c1-15-12-16(19-4-2-3-5-21(19)24-15)13-32-17-6-8-18(9-7-17)33(29,30)26-22-10-11-31-14-20(22)23(27)25-28/h2-9,12,20,22,26,28H,10-11,13-14H2,1H3,(H,25,27)/t20-,22+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Binding affinity for Protein kinase C epsilon C1a domain


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236598
PNG
(CHEMBL4099382)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C23H25N3O6S/c1-15-12-16(19-4-2-3-5-21(19)24-15)13-32-17-6-8-18(9-7-17)33(29,30)26-22-10-11-31-14-20(22)23(27)25-28/h2-9,12,20,22,26,28H,10-11,13-14H2,1H3,(H,25,27)/t20-,22+/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236624
PNG
(CHEMBL4097420)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)NO)c2ccccc2n1
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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n/an/a 18n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to integrin alphaIIb-beta3


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236618
PNG
(CHEMBL4074005)
Show SMILES CN(C1[C@H]2CC[C@H](O2)C1C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
Show InChI InChI=1S/C25H27N3O6S/c1-15-13-16(19-5-3-4-6-20(19)26-15)14-33-17-7-9-18(10-8-17)35(31,32)28(2)24-22-12-11-21(34-22)23(24)25(29)27-30/h3-10,13,21-24,30H,11-12,14H2,1-2H3,(H,27,29)/t21-,22+,23?,24?/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236630
PNG
(CHEMBL4076142)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CCC[C@]2(F)C(=O)NO)c2ccccc2n1
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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n/an/a 19n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Binding affinity for Protein kinase C delta C1b domain


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236624
PNG
(CHEMBL4097420)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)NO)c2ccccc2n1
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 TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236628
PNG
(CHEMBL4069740)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CN(C[C@@H]2C(=O)NO)C=O)c2ccccc2n1
Show InChI InChI=1S/C23H24N4O6S/c1-15-10-16(19-4-2-3-5-21(19)24-15)13-33-17-6-8-18(9-7-17)34(31,32)26-22-12-27(14-28)11-20(22)23(29)25-30/h2-10,14,20,22,26,30H,11-13H2,1H3,(H,25,29)/t20-,22+/m0/s1
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Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236594
PNG
(CHEMBL4077184)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CN(CCC2C(=O)NO)C=O)c2ccccc2n1
Show InChI InChI=1S/C24H26N4O6S/c1-16-12-17(20-4-2-3-5-22(20)25-16)14-34-18-6-8-19(9-7-18)35(32,33)27-23-13-28(15-29)11-10-21(23)24(30)26-31/h2-9,12,15,21,23,27,31H,10-11,13-14H2,1H3,(H,26,30)/t21?,23-/m1/s1
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Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236628
PNG
(CHEMBL4069740)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CN(C[C@@H]2C(=O)NO)C=O)c2ccccc2n1
Show InChI InChI=1S/C23H24N4O6S/c1-15-10-16(19-4-2-3-5-21(19)24-15)13-33-17-6-8-18(9-7-17)34(31,32)26-22-12-27(14-28)11-20(22)23(29)25-30/h2-10,14,20,22,26,30H,11-13H2,1H3,(H,25,29)/t20-,22+/m0/s1
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Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to integrin alphaIIb-beta3


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236627
PNG
(CHEMBL4102282)
Show SMILES CC(=O)N1C[C@@H](NS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO
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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n/an/a 20n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to integrin alphaIIb-beta3


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236602
PNG
(CHEMBL4075636)
Show SMILES CC(=O)N1CCC(NS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(C1)C(=O)NO
Show InChI InChI=1S/C25H28N4O6S/c1-16-13-18(21-5-3-4-6-23(21)26-16)15-35-19-7-9-20(10-8-19)36(33,34)28-24-11-12-29(17(2)30)14-22(24)25(31)27-32/h3-10,13,22,24,28,32H,11-12,14-15H2,1-2H3,(H,27,31)
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n/an/a 20n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236627
PNG
(CHEMBL4102282)
Show SMILES CC(=O)N1C[C@@H](NS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO
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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n/an/a 20n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236630
PNG
(CHEMBL4076142)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CCC[C@]2(F)C(=O)NO)c2ccccc2n1
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 TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236602
PNG
(CHEMBL4075636)
Show SMILES CC(=O)N1CCC(NS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(C1)C(=O)NO
Show InChI InChI=1S/C25H28N4O6S/c1-16-13-18(21-5-3-4-6-23(21)26-16)15-35-19-7-9-20(10-8-19)36(33,34)28-24-11-12-29(17(2)30)14-22(24)25(31)27-32/h3-10,13,22,24,28,32H,11-12,14-15H2,1-2H3,(H,27,31)
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Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to integrin alphaIIb-beta3


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236618
PNG
(CHEMBL4074005)
Show SMILES CN(C1[C@H]2CC[C@H](O2)C1C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
Show InChI InChI=1S/C25H27N3O6S/c1-15-13-16(19-5-3-4-6-20(19)26-15)14-33-17-7-9-18(10-8-17)35(31,32)28(2)24-22-12-11-21(34-22)23(24)25(29)27-30/h3-10,13,21-24,30H,11-12,14H2,1-2H3,(H,27,29)/t21-,22+,23?,24?/m0/s1
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Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236594
PNG
(CHEMBL4077184)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CN(CCC2C(=O)NO)C=O)c2ccccc2n1
Show InChI InChI=1S/C24H26N4O6S/c1-16-12-17(20-4-2-3-5-22(20)25-16)14-34-18-6-8-19(9-7-18)35(32,33)27-23-13-28(15-29)11-10-21(23)24(30)26-31/h2-9,12,15,21,23,27,31H,10-11,13-14H2,1H3,(H,26,30)/t21?,23-/m1/s1
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Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
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
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 TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236617
PNG
(CHEMBL4080774)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@]2(C)CCCC[C@@H]2C(=O)NO)c2ccccc2n1
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 TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
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
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 TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
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
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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Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
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
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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Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
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
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 TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
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
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
Compound was tested for its ability to inhibit high affinity uptake of [3H]DA into rat striatal membrane


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236620
PNG
(CHEMBL4086030)
Show SMILES CN([C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
Show InChI InChI=1S/C26H29N3O5S/c1-16-13-19(22-5-3-4-6-23(22)27-16)15-34-20-9-11-21(12-10-20)35(32,33)29(2)25-18-8-7-17(14-18)24(25)26(30)28-31/h3-6,9-13,17-18,24-25,31H,7-8,14-15H2,1-2H3,(H,28,30)/t17-,18+,24-,25+/m0/s1
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Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236597
PNG
(CHEMBL4089231)
Show SMILES CCNC(=O)N1C[C@@H](NS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO
Show InChI InChI=1S/C25H29N5O6S/c1-3-26-25(32)30-13-21(24(31)28-33)23(14-30)29-37(34,35)19-10-8-18(9-11-19)36-15-17-12-16(2)27-22-7-5-4-6-20(17)22/h4-12,21,23,29,33H,3,13-15H2,1-2H3,(H,26,32)(H,28,31)/t21-,23+/m0/s1
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Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236597
PNG
(CHEMBL4089231)
Show SMILES CCNC(=O)N1C[C@@H](NS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO
Show InChI InChI=1S/C25H29N5O6S/c1-3-26-25(32)30-13-21(24(31)28-33)23(14-30)29-37(34,35)19-10-8-18(9-11-19)36-15-17-12-16(2)27-22-7-5-4-6-20(17)22/h4-12,21,23,29,33H,3,13-15H2,1-2H3,(H,26,32)(H,28,31)/t21-,23+/m0/s1
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Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to integrin alphaIIb-beta3


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236620
PNG
(CHEMBL4086030)
Show SMILES CN([C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
Show InChI InChI=1S/C26H29N3O5S/c1-16-13-19(22-5-3-4-6-23(22)27-16)15-34-20-9-11-21(12-10-20)35(32,33)29(2)25-18-8-7-17(14-18)24(25)26(30)28-31/h3-6,9-13,17-18,24-25,31H,7-8,14-15H2,1-2H3,(H,28,30)/t17-,18+,24-,25+/m0/s1
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Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236604
PNG
(CHEMBL4070455)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CN(CC[C@@H]2C(=O)NO)C(=O)NC(C)(C)C)c2ccccc2n1
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)32-25-16-33(27(35)30-28(2,3)4)14-13-23(25)26(34)31-36/h5-12,15,23,25,32,36H,13-14,16-17H2,1-4H3,(H,30,35)(H,31,34)/t23-,25+/m0/s1
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Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236603
PNG
(CHEMBL4101060)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CN(CC[C@H]2C(=O)NO)C(=O)OC(C)(C)C)c2ccccc2n1
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)31-25-16-32(27(34)39-28(2,3)4)14-13-23(25)26(33)30-35/h5-12,15,23,25,31,35H,13-14,16-17H2,1-4H3,(H,30,33)/t23-,25-/m1/s1
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Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236622
PNG
(CHEMBL4093788)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@H]2CCCC[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C24H27N3O5S/c1-16-14-17(20-6-2-4-8-22(20)25-16)15-32-18-10-12-19(13-11-18)33(30,31)27-23-9-5-3-7-21(23)24(28)26-29/h2,4,6,8,10-14,21,23,27,29H,3,5,7,9,15H2,1H3,(H,26,28)/t21-,23-/m0/s1
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Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236603
PNG
(CHEMBL4101060)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CN(CC[C@H]2C(=O)NO)C(=O)OC(C)(C)C)c2ccccc2n1
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)31-25-16-32(27(34)39-28(2,3)4)14-13-23(25)26(33)30-35/h5-12,15,23,25,31,35H,13-14,16-17H2,1-4H3,(H,30,33)/t23-,25-/m1/s1
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Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236622
PNG
(CHEMBL4093788)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@H]2CCCC[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C24H27N3O5S/c1-16-14-17(20-6-2-4-8-22(20)25-16)15-32-18-10-12-19(13-11-18)33(30,31)27-23-9-5-3-7-21(23)24(28)26-29/h2,4,6,8,10-14,21,23,27,29H,3,5,7,9,15H2,1H3,(H,26,28)/t21-,23-/m0/s1
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n/an/a 63n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Compound was tested for agonistic activity at Glutamate receptor 6 using HEK293 cells


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236604
PNG
(CHEMBL4070455)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CN(CC[C@@H]2C(=O)NO)C(=O)NC(C)(C)C)c2ccccc2n1
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)32-25-16-33(27(35)30-28(2,3)4)14-13-23(25)26(34)31-36/h5-12,15,23,25,32,36H,13-14,16-17H2,1-4H3,(H,30,35)(H,31,34)/t23-,25+/m0/s1
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n/an/a 63n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236612
PNG
(CHEMBL4071465)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CCC[C@]2(O)C(=O)NO)c2ccccc2n1
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 79n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236625
PNG
(CHEMBL4101507)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CCCC[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C24H27N3O5S/c1-16-14-17(20-6-2-4-8-22(20)25-16)15-32-18-10-12-19(13-11-18)33(30,31)27-23-9-5-3-7-21(23)24(28)26-29/h2,4,6,8,10-14,21,23,27,29H,3,5,7,9,15H2,1H3,(H,26,28)/t21-,23+/m0/s1
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n/an/a 79n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236625
PNG
(CHEMBL4101507)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CCCC[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C24H27N3O5S/c1-16-14-17(20-6-2-4-8-22(20)25-16)15-32-18-10-12-19(13-11-18)33(30,31)27-23-9-5-3-7-21(23)24(28)26-29/h2,4,6,8,10-14,21,23,27,29H,3,5,7,9,15H2,1H3,(H,26,28)/t21-,23+/m0/s1
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n/an/a 80n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Displacement of 0.5 nM [3H]WIN-35248 from Dopamine transporter


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236612
PNG
(CHEMBL4071465)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CCC[C@]2(O)C(=O)NO)c2ccccc2n1
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 82n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236626
PNG
(CHEMBL4084316)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CN(CC#C)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C25H26N4O5S/c1-3-12-29-14-22(25(30)27-31)24(15-29)28-35(32,33)20-10-8-19(9-11-20)34-16-18-13-17(2)26-23-7-5-4-6-21(18)23/h1,4-11,13,22,24,28,31H,12,14-16H2,2H3,(H,27,30)/t22-,24+/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236596
PNG
(CHEMBL4061058)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CNC[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C22H24N4O5S/c1-14-10-15(18-4-2-3-5-20(18)24-14)13-31-16-6-8-17(9-7-16)32(29,30)26-21-12-23-11-19(21)22(27)25-28/h2-10,19,21,23,26,28H,11-13H2,1H3,(H,25,27)/t19-,21+/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236573
PNG
(CHEMBL4082009)
Show SMILES CN([C@@H]1CCC[C@@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
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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n/an/a 93n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236626
PNG
(CHEMBL4084316)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CN(CC#C)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C25H26N4O5S/c1-3-12-29-14-22(25(30)27-31)24(15-29)28-35(32,33)20-10-8-19(9-11-20)34-16-18-13-17(2)26-23-7-5-4-6-21(18)23/h1,4-11,13,22,24,28,31H,12,14-16H2,2H3,(H,27,30)/t22-,24+/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against recombinant HIV-1 Reverse transcriptase using cell free RT inhibition assay


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

More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236573
PNG
(CHEMBL4082009)
Show SMILES CN([C@@H]1CCC[C@@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
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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n/an/a 100n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to integrin alphaIIb-beta3


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

More data for this
Ligand-Target Pair
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