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Compile Data Set for Download or QSAR

Found 782 hits of ic50 data for polymerid = 7603   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50601784
PNG
(CHEMBL5206579)
Show SMILES CNC(=O)[C@@H](NC(=O)C(CCCc1ccccc1)[C@H](C)N(O)C=O)C(C)(C)C |r|
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n/an/a 5.30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113877
BindingDB Entry DOI: 10.7270/Q2PK0M78
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50533418
PNG
(CHEMBL4435465)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)[C@H](C)N(O)C(C)=O)C(C)(C)C |r|
Show InChI InChI=1S/C22H35N3O4/c1-15(25(29)16(2)26)18(14-10-13-17-11-8-7-9-12-17)20(27)24-19(21(28)23-6)22(3,4)5/h7-9,11-12,15,18-19,29H,10,13-14H2,1-6H3,(H,23,28)(H,24,27)/t15-,18+,19+/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



Centre Hospitalier Universitaire Vaudois (CHUV)

Curated by ChEMBL


Assay Description
Inhibition of ADAM10 (unknown origin) assessed as blockage of TNF-alpha shedding

J Med Chem 59: 7719-37 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01516
BindingDB Entry DOI: 10.7270/Q2M048X4
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50229655
PNG
(CHEMBL442432 | trans-2-hydroxycyclopentyl 4-(hydro...)
Show SMILES Cc1ccccc1C1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC1CCCC1O)C(=O)NO |w:26.28,30.34|
Show InChI InChI=1S/C25H37N3O7S/c1-18-5-2-3-6-20(18)19-9-13-28(14-10-19)36(33,34)17-25(23(30)26-32)11-15-27(16-12-25)24(31)35-22-8-4-7-21(22)29/h2-3,5-6,19,21-22,29,32H,4,7-17H2,1H3,(H,26,30)
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n/an/a 6.20n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of HER2 sheddase in human BT474 cells

Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50229651
PNG
((S)-pyrrolidin-2-ylmethyl 4-((4-(4-cyano-2-methylp...)
Show SMILES Cc1cc(ccc1C1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC[C@@H]1CCCN1)C(=O)NO)C#N
Show InChI InChI=1S/C26H37N5O6S/c1-19-15-20(16-27)4-5-23(19)21-6-11-31(12-7-21)38(35,36)18-26(24(32)29-34)8-13-30(14-9-26)25(33)37-17-22-3-2-10-28-22/h4-5,15,21-22,28,34H,2-3,6-14,17-18H2,1H3,(H,29,32)/t22-/m0/s1
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n/an/a 6.5n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of HER2 sheddase in human BT474 cells

Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50229639
PNG
((S)-tetrahydrofuran-3-yl 4-(hydroxycarbamoyl)-4-((...)
Show SMILES ONC(=O)C1(CS(=O)(=O)N2CCC(=CC2)c2ccccc2)CCN(CC1)C(=O)O[C@H]1CCOC1 |c:12|
Show InChI InChI=1S/C23H31N3O7S/c27-21(24-29)23(9-13-25(14-10-23)22(28)33-20-8-15-32-16-20)17-34(30,31)26-11-6-19(7-12-26)18-4-2-1-3-5-18/h1-6,20,29H,7-17H2,(H,24,27)/t20-/m0/s1
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n/an/a 7.10n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of HER2 sheddase in human BT474 cells

Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50229641
PNG
(CHEMBL400528 | pyrrolidin-3-yl 4-((4-(4-cyano-2-me...)
Show SMILES Cc1cc(ccc1C1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC1CCNC1)C(=O)NO)C#N |w:26.28|
Show InChI InChI=1S/C25H35N5O6S/c1-18-14-19(15-26)2-3-22(18)20-5-10-30(11-6-20)37(34,35)17-25(23(31)28-33)7-12-29(13-8-25)24(32)36-21-4-9-27-16-21/h2-3,14,20-21,27,33H,4-13,16-17H2,1H3,(H,28,31)
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n/an/a 7.80n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAM10

Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50062351
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r|
Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
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n/an/a 8.10n/an/an/an/an/an/a



Department of Life Science and National Research Laboratory of Proteolysis

Curated by ChEMBL


Assay Description
In vitro inhibition of A disintegrin and metalloproteinase domain 10 (ADAM10)

Bioorg Med Chem Lett 14: 6071-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.082
BindingDB Entry DOI: 10.7270/Q29Z94DH
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50301104
PNG
((5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenyl-1,2,3,6-t...)
Show SMILES ONC(=O)[C@H]1CC(CN[C@@H]1C(=O)N1CCC(=CC1)c1ccccc1)OC(=O)N1CCCC1 |r,c:16|
Show InChI InChI=1S/C23H30N4O5/c28-21(25-31)19-14-18(32-23(30)27-10-4-5-11-27)15-24-20(19)22(29)26-12-8-17(9-13-26)16-6-2-1-3-7-16/h1-3,6-8,18-20,24,31H,4-5,9-15H2,(H,25,28)/t18?,19-,20-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10

Bioorg Med Chem Lett 19: 5037-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.052
BindingDB Entry DOI: 10.7270/Q2154J0S
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50229651
PNG
((S)-pyrrolidin-2-ylmethyl 4-((4-(4-cyano-2-methylp...)
Show SMILES Cc1cc(ccc1C1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC[C@@H]1CCCN1)C(=O)NO)C#N
Show InChI InChI=1S/C26H37N5O6S/c1-19-15-20(16-27)4-5-23(19)21-6-11-31(12-7-21)38(35,36)18-26(24(32)29-34)8-13-30(14-9-26)25(33)37-17-22-3-2-10-28-22/h4-5,15,21-22,28,34H,2-3,6-14,17-18H2,1H3,(H,29,32)/t22-/m0/s1
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n/an/a 9.10n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAM10

Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50151244
PNG
(CHEMBL3770688)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N |r|
Show InChI InChI=1S/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/m1/s1
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n/an/a 9.20n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-10 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 1 hr by fluorometric assay

Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50301118
PNG
((3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phen...)
Show SMILES CN1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCCCC1 |r|
Show InChI InChI=1S/C24H35N5O5/c1-26-17-19(34-24(32)29-10-6-3-7-11-29)16-20(22(30)25-33)21(26)23(31)28-14-12-27(13-15-28)18-8-4-2-5-9-18/h2,4-5,8-9,19-21,33H,3,6-7,10-17H2,1H3,(H,25,30)/t19-,20-,21-/m0/s1
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n/an/a 9.60n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10

Bioorg Med Chem Lett 19: 5037-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.052
BindingDB Entry DOI: 10.7270/Q2154J0S
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50229639
PNG
((S)-tetrahydrofuran-3-yl 4-(hydroxycarbamoyl)-4-((...)
Show SMILES ONC(=O)C1(CS(=O)(=O)N2CCC(=CC2)c2ccccc2)CCN(CC1)C(=O)O[C@H]1CCOC1 |c:12|
Show InChI InChI=1S/C23H31N3O7S/c27-21(24-29)23(9-13-25(14-10-23)22(28)33-20-8-15-32-16-20)17-34(30,31)26-11-6-19(7-12-26)18-4-2-1-3-5-18/h1-6,20,29H,7-17H2,(H,24,27)/t20-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAM10

Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50229660
PNG
(3-methyl-tetrahydrofuran-3-yl 4-(hydroxycarbamoyl)...)
Show SMILES Cc1ccccc1C1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC1(C)CCOC1)C(=O)NO |w:26.29|
Show InChI InChI=1S/C25H37N3O7S/c1-19-5-3-4-6-21(19)20-7-12-28(13-8-20)36(32,33)18-25(22(29)26-31)9-14-27(15-10-25)23(30)35-24(2)11-16-34-17-24/h3-6,20,31H,7-18H2,1-2H3,(H,26,29)
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n/an/a 11n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAM10

Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50301107
PNG
(CHEMBL572301 | isopropyl-(5S,6S)-5-(hydroxycarbamo...)
Show SMILES CC(C)OC(=O)N(C)C1CN[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CCC(=CC1)c1ccccc1 |r,c:24|
Show InChI InChI=1S/C23H32N4O5/c1-15(2)32-23(30)26(3)18-13-19(21(28)25-31)20(24-14-18)22(29)27-11-9-17(10-12-27)16-7-5-4-6-8-16/h4-9,15,18-20,24,31H,10-14H2,1-3H3,(H,25,28)/t18?,19-,20-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10

Bioorg Med Chem Lett 19: 5037-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.052
BindingDB Entry DOI: 10.7270/Q2154J0S
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50229636
PNG
((R)-pyrrolidin-2-ylmethyl 4-((4-(4-cyano-2-methylp...)
Show SMILES Cc1cc(ccc1C1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC[C@H]1CCCN1)C(=O)NO)C#N
Show InChI InChI=1S/C26H37N5O6S/c1-19-15-20(16-27)4-5-23(19)21-6-11-31(12-7-21)38(35,36)18-26(24(32)29-34)8-13-30(14-9-26)25(33)37-17-22-3-2-10-28-22/h4-5,15,21-22,28,34H,2-3,6-14,17-18H2,1H3,(H,29,32)/t22-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAM10

Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50301109
PNG
((5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenylpiperazine...)
Show SMILES ONC(=O)[C@H]1C[C@@H](CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1)OC(=O)N1CCCC1 |r|
Show InChI InChI=1S/C22H31N5O5/c28-20(24-31)18-14-17(32-22(30)27-8-4-5-9-27)15-23-19(18)21(29)26-12-10-25(11-13-26)16-6-2-1-3-7-16/h1-3,6-7,17-19,23,31H,4-5,8-15H2,(H,24,28)/t17-,18-,19-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10

Bioorg Med Chem Lett 19: 5037-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.052
BindingDB Entry DOI: 10.7270/Q2154J0S
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50301106
PNG
((2S,3S)-N-hydroxy-5-(N-methylbenzamido)-2-(4-pheny...)
Show SMILES CN(C1CN[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CCC(=CC1)c1ccccc1)C(=O)c1ccccc1 |r,c:18|
Show InChI InChI=1S/C26H30N4O4/c1-29(25(32)20-10-6-3-7-11-20)21-16-22(24(31)28-34)23(27-17-21)26(33)30-14-12-19(13-15-30)18-8-4-2-5-9-18/h2-12,21-23,27,34H,13-17H2,1H3,(H,28,31)/t21?,22-,23-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10

Bioorg Med Chem Lett 19: 5037-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.052
BindingDB Entry DOI: 10.7270/Q2154J0S
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50229643
PNG
((S)-tetrahydrofuran-3-yl 4-((4-(4-cyano-2-methylph...)
Show SMILES Cc1cc(ccc1C1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)O[C@H]1CCOC1)C(=O)NO)C#N
Show InChI InChI=1S/C25H34N4O7S/c1-18-14-19(15-26)2-3-22(18)20-4-9-29(10-5-20)37(33,34)17-25(23(30)27-32)7-11-28(12-8-25)24(31)36-21-6-13-35-16-21/h2-3,14,20-21,32H,4-13,16-17H2,1H3,(H,27,30)/t21-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAM10

Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50229641
PNG
(CHEMBL400528 | pyrrolidin-3-yl 4-((4-(4-cyano-2-me...)
Show SMILES Cc1cc(ccc1C1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC1CCNC1)C(=O)NO)C#N |w:26.28|
Show InChI InChI=1S/C25H35N5O6S/c1-18-14-19(15-26)2-3-22(18)20-5-10-30(11-6-20)37(34,35)17-25(23(31)28-33)7-12-29(13-8-25)24(32)36-21-4-9-27-16-21/h2-3,14,20-21,27,33H,4-13,16-17H2,1H3,(H,28,31)
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n/an/a 13n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of HER2 sheddase in human BT474 cells

Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50203538
PNG
((6S,7S)-6-(3-phenyl-2,5-dihydro-pyrrole-1-carbonyl...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CC=C(C1)c1ccccc1 |c:18|
Show InChI InChI=1S/C19H23N3O3/c23-17(21-25)15-10-19(7-8-19)12-20-16(15)18(24)22-9-6-14(11-22)13-4-2-1-3-5-13/h1-6,15-16,20,25H,7-12H2,(H,21,23)/t15-,16-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of HER2 sheddase in BT474 cells by extracellular domain shedding assay

Bioorg Med Chem Lett 18: 159-63 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.108
BindingDB Entry DOI: 10.7270/Q2GM8720
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50229657
PNG
((S)-tetrahydrofuran-3-yl 4-(hydroxycarbamoyl)-4-((...)
Show SMILES ONC(=O)C1(CS(=O)(=O)N2CCN(CC2)c2ccccc2)CCN(CC1)C(=O)O[C@H]1CCOC1
Show InChI InChI=1S/C22H32N4O7S/c27-20(23-29)22(7-9-25(10-8-22)21(28)33-19-6-15-32-16-19)17-34(30,31)26-13-11-24(12-14-26)18-4-2-1-3-5-18/h1-5,19,29H,6-17H2,(H,23,27)/t19-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of HER2 sheddase in human BT474 cells

Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50228004
PNG
((6S,7S)-6-[4-(3-chloro-phenyl)-piperazine-1-carbon...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C19H25ClN4O3/c20-13-2-1-3-14(10-13)23-6-8-24(9-7-23)18(26)16-15(17(25)22-27)11-19(4-5-19)12-21-16/h1-3,10,15-16,21,27H,4-9,11-12H2,(H,22,25)/t15-,16-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Binding affinity to ADAM10

Bioorg Med Chem Lett 18: 159-63 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.108
BindingDB Entry DOI: 10.7270/Q2GM8720
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50229643
PNG
((S)-tetrahydrofuran-3-yl 4-((4-(4-cyano-2-methylph...)
Show SMILES Cc1cc(ccc1C1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)O[C@H]1CCOC1)C(=O)NO)C#N
Show InChI InChI=1S/C25H34N4O7S/c1-18-14-19(15-26)2-3-22(18)20-4-9-29(10-5-20)37(33,34)17-25(23(30)27-32)7-11-28(12-8-25)24(31)36-21-6-13-35-16-21/h2-3,14,20-21,32H,4-13,16-17H2,1H3,(H,27,30)/t21-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of HER2 sheddase in human BT474 cells

Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50301101
PNG
((2S,3S)-N-hydroxy-5-(2-oxo-2-(pyrrolidin-1-yl)ethy...)
Show SMILES ONC(=O)[C@H]1CC(CC(=O)N2CCCC2)CN[C@@H]1C(=O)N1CC[C@@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C23H32N4O4/c28-20(26-9-4-5-10-26)13-16-12-19(22(29)25-31)21(24-14-16)23(30)27-11-8-18(15-27)17-6-2-1-3-7-17/h1-3,6-7,16,18-19,21,24,31H,4-5,8-15H2,(H,25,29)/t16?,18-,19-,21-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10

Bioorg Med Chem Lett 19: 5037-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.052
BindingDB Entry DOI: 10.7270/Q2154J0S
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50229635
PNG
(4,4-dimethyl-tetrahydrofuran-3-yl 4-(hydroxycarbam...)
Show SMILES Cc1ccccc1C1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC1COCC1(C)C)C(=O)NO |w:26.28|
Show InChI InChI=1S/C26H39N3O7S/c1-19-6-4-5-7-21(19)20-8-12-29(13-9-20)37(33,34)18-26(23(30)27-32)10-14-28(15-11-26)24(31)36-22-16-35-17-25(22,2)3/h4-7,20,22,32H,8-18H2,1-3H3,(H,27,30)
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n/an/a 14n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of HER2 sheddase in human BT474 cells

Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50227991
PNG
((6S,7S)-6-[4-(3,5-difluoro-phenyl)-3,6-dihydro-2H-...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(=CC1)c1cc(F)cc(F)c1 |c:19|
Show InChI InChI=1S/C20H23F2N3O3/c21-14-7-13(8-15(22)9-14)12-1-5-25(6-2-12)19(27)17-16(18(26)24-28)10-20(3-4-20)11-23-17/h1,7-9,16-17,23,28H,2-6,10-11H2,(H,24,26)/t16-,17-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Binding affinity to ADAM10

Bioorg Med Chem Lett 18: 159-63 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.108
BindingDB Entry DOI: 10.7270/Q2GM8720
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50229657
PNG
((S)-tetrahydrofuran-3-yl 4-(hydroxycarbamoyl)-4-((...)
Show SMILES ONC(=O)C1(CS(=O)(=O)N2CCN(CC2)c2ccccc2)CCN(CC1)C(=O)O[C@H]1CCOC1
Show InChI InChI=1S/C22H32N4O7S/c27-20(23-29)22(7-9-25(10-8-22)21(28)33-19-6-15-32-16-19)17-34(30,31)26-13-11-24(12-14-26)18-4-2-1-3-5-18/h1-5,19,29H,6-17H2,(H,23,27)/t19-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAM10

Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50269057
PNG
((1S,2S,5S)-N-hydroxy-5-(2-oxo-2-(piperidin-1-yl)et...)
Show SMILES ONC(=O)[C@H]1C[C@@H](CC(=O)N2CCCCC2)CC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C25H36N4O4/c30-23(28-11-5-2-6-12-28)18-19-9-10-21(22(17-19)24(31)26-33)25(32)29-15-13-27(14-16-29)20-7-3-1-4-8-20/h1,3-4,7-8,19,21-22,33H,2,5-6,9-18H2,(H,26,31)/t19-,21-,22-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAM10

Bioorg Med Chem Lett 19: 3525-30 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.143
BindingDB Entry DOI: 10.7270/Q2ST7PRT
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50229655
PNG
(CHEMBL442432 | trans-2-hydroxycyclopentyl 4-(hydro...)
Show SMILES Cc1ccccc1C1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC1CCCC1O)C(=O)NO |w:26.28,30.34|
Show InChI InChI=1S/C25H37N3O7S/c1-18-5-2-3-6-20(18)19-9-13-28(14-10-19)36(33,34)17-25(23(30)26-32)11-15-27(16-12-25)24(31)35-22-8-4-7-21(22)29/h2-3,5-6,19,21-22,29,32H,4,7-17H2,1H3,(H,26,30)
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n/an/a 16n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAM10

Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50229656
PNG
(CHEMBL252612 | pyrrolidin-3-yl 4-(hydroxycarbamoyl...)
Show SMILES Cc1ccccc1C1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC1CCNC1)C(=O)NO |w:26.28|
Show InChI InChI=1S/C24H36N4O6S/c1-18-4-2-3-5-21(18)19-7-12-28(13-8-19)35(32,33)17-24(22(29)26-31)9-14-27(15-10-24)23(30)34-20-6-11-25-16-20/h2-5,19-20,25,31H,6-17H2,1H3,(H,26,29)
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n/an/a 16n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of HER2 sheddase in human BT474 cells

Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50227997
PNG
((6S,7S)-6-[4-(3-isopropyl-phenyl)-piperidine-1-car...)
Show SMILES CC(C)c1cccc(c1)C1CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C23H33N3O3/c1-15(2)17-4-3-5-18(12-17)16-6-10-26(11-7-16)22(28)20-19(21(27)25-29)13-23(8-9-23)14-24-20/h3-5,12,15-16,19-20,24,29H,6-11,13-14H2,1-2H3,(H,25,27)/t19-,20-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of HER2 sheddase in BT474 cells by extracellular domain shedding assay

Bioorg Med Chem Lett 18: 159-63 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.108
BindingDB Entry DOI: 10.7270/Q2GM8720
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50301103
PNG
((2S,3S)-N-hydroxy-5-(2-oxo-2-(pyrrolidin-1-yl)ethy...)
Show SMILES ONC(=O)[C@H]1CC(CC(=O)N2CCCC2)CN[C@@H]1C(=O)N1CCC(=CC1)c1ccccc1 |r,c:25|
Show InChI InChI=1S/C24H32N4O4/c29-21(27-10-4-5-11-27)15-17-14-20(23(30)26-32)22(25-16-17)24(31)28-12-8-19(9-13-28)18-6-2-1-3-7-18/h1-3,6-8,17,20,22,25,32H,4-5,9-16H2,(H,26,30)/t17?,20-,22-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10

Bioorg Med Chem Lett 19: 5037-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.052
BindingDB Entry DOI: 10.7270/Q2154J0S
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50301113
PNG
((3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phen...)
Show SMILES CN1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCCC1 |r|
Show InChI InChI=1S/C23H33N5O5/c1-25-16-18(33-23(31)28-9-5-6-10-28)15-19(21(29)24-32)20(25)22(30)27-13-11-26(12-14-27)17-7-3-2-4-8-17/h2-4,7-8,18-20,32H,5-6,9-16H2,1H3,(H,24,29)/t18-,19-,20-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10

Bioorg Med Chem Lett 19: 5037-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.052
BindingDB Entry DOI: 10.7270/Q2154J0S
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50203526
PNG
((6S,7S)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carb...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(=CC1)c1ccccc1 |c:19|
Show InChI InChI=1S/C20H25N3O3/c24-18(22-26)16-12-20(8-9-20)13-21-17(16)19(25)23-10-6-15(7-11-23)14-4-2-1-3-5-14/h1-6,16-17,21,26H,7-13H2,(H,22,24)/t16-,17-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of HER2 sheddase in BT474 cells by extracellular domain shedding assay

Bioorg Med Chem Lett 18: 159-63 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.108
BindingDB Entry DOI: 10.7270/Q2GM8720
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50229650
PNG
((S)-tetrahydrofuran-3-yl 4-(hydroxycarbamoyl)-4-((...)
Show SMILES Cc1ccccc1C1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)O[C@H]1CCOC1)C(=O)NO
Show InChI InChI=1S/C24H35N3O7S/c1-18-4-2-3-5-21(18)19-6-11-27(12-7-19)35(31,32)17-24(22(28)25-30)9-13-26(14-10-24)23(29)34-20-8-15-33-16-20/h2-5,19-20,30H,6-17H2,1H3,(H,25,28)/t20-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAM10

Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50229656
PNG
(CHEMBL252612 | pyrrolidin-3-yl 4-(hydroxycarbamoyl...)
Show SMILES Cc1ccccc1C1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC1CCNC1)C(=O)NO |w:26.28|
Show InChI InChI=1S/C24H36N4O6S/c1-18-4-2-3-5-21(18)19-7-12-28(13-8-19)35(32,33)17-24(22(29)26-31)9-14-27(15-10-24)23(30)34-20-6-11-25-16-20/h2-5,19-20,25,31H,6-17H2,1H3,(H,26,29)
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n/an/a 18n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAM10

Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50229640
PNG
((S)-tetrahydrofuran-3-yl 4-(hydroxycarbamoyl)-4-((...)
Show SMILES Cc1ccccc1C1=CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)O[C@H]1CCOC1)C(=O)NO |t:8|
Show InChI InChI=1S/C24H33N3O7S/c1-18-4-2-3-5-21(18)19-6-11-27(12-7-19)35(31,32)17-24(22(28)25-30)9-13-26(14-10-24)23(29)34-20-8-15-33-16-20/h2-6,20,30H,7-17H2,1H3,(H,25,28)/t20-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAM10

Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50227996
PNG
((6S,7S)-7-hydroxycarbamoyl-6-(4-phenyl-3,4-dihydro...)
Show SMILES CC(C)COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(C=C1)c1ccccc1)C(=O)NO |w:20.25,c:23|
Show InChI InChI=1S/C25H33N3O5/c1-17(2)15-33-24(31)28-16-25(10-11-25)14-20(22(29)26-32)21(28)23(30)27-12-8-19(9-13-27)18-6-4-3-5-7-18/h3-8,12,17,19-21,32H,9-11,13-16H2,1-2H3,(H,26,29)/t19?,20-,21-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of HER2 sheddase in BT474 cells by extracellular domain shedding assay

Bioorg Med Chem Lett 18: 159-63 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.108
BindingDB Entry DOI: 10.7270/Q2GM8720
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50229647
PNG
((R)-pyrrolidin-2-ylmethyl 4-((4-(4-cyano-2-methylp...)
Show SMILES Cc1cc(ccc1C1=CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC[C@H]1CCCN1)C(=O)NO)C#N |t:8|
Show InChI InChI=1S/C26H35N5O6S/c1-19-15-20(16-27)4-5-23(19)21-6-11-31(12-7-21)38(35,36)18-26(24(32)29-34)8-13-30(14-9-26)25(33)37-17-22-3-2-10-28-22/h4-6,15,22,28,34H,2-3,7-14,17-18H2,1H3,(H,29,32)/t22-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of HER2 sheddase in human BT474 cells

Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50227989
PNG
((6S,7S)-7-hydroxycarbamoyl-6-(4-phenyl-piperidine-...)
Show SMILES COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(CC1)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H29N3O5/c1-30-21(28)25-14-22(9-10-22)13-17(19(26)23-29)18(25)20(27)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-6,16-18,29H,7-14H2,1H3,(H,23,26)/t17-,18-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Binding affinity to ADAM10

Bioorg Med Chem Lett 18: 159-63 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.108
BindingDB Entry DOI: 10.7270/Q2GM8720
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50268906
PNG
((2S,3S,5RS)-N-hydroxy-5-(2-oxo-2-(pyrrolidin-1-yl)...)
Show SMILES ONC(=O)[C@H]1CC(CC(=O)N2CCCC2)CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C23H33N5O4/c29-20(27-8-4-5-9-27)15-17-14-19(22(30)25-32)21(24-16-17)23(31)28-12-10-26(11-13-28)18-6-2-1-3-7-18/h1-3,6-7,17,19,21,24,32H,4-5,8-16H2,(H,25,30)/t17?,19-,21-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAM10

Bioorg Med Chem Lett 19: 3525-30 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.143
BindingDB Entry DOI: 10.7270/Q2ST7PRT
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50229646
PNG
((R)-pyrrolidin-2-ylmethyl 4-(hydroxycarbamoyl)-4-(...)
Show SMILES Cc1ccccc1C1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC[C@H]1CCCN1)C(=O)NO
Show InChI InChI=1S/C25H38N4O6S/c1-19-5-2-3-7-22(19)20-8-13-29(14-9-20)36(33,34)18-25(23(30)27-32)10-15-28(16-11-25)24(31)35-17-21-6-4-12-26-21/h2-3,5,7,20-21,26,32H,4,6,8-18H2,1H3,(H,27,30)/t21-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAM10

Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50301102
PNG
((3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phen...)
Show SMILES CN1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCC1 |r|
Show InChI InChI=1S/C22H31N5O5/c1-24-15-17(32-22(30)27-8-5-9-27)14-18(20(28)23-31)19(24)21(29)26-12-10-25(11-13-26)16-6-3-2-4-7-16/h2-4,6-7,17-19,31H,5,8-15H2,1H3,(H,23,28)/t17-,18-,19-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10

Bioorg Med Chem Lett 19: 5037-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.052
BindingDB Entry DOI: 10.7270/Q2154J0S
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50301114
PNG
((2S,3S,5S)-methyl 3-(hydroxycarbamoyl)-2-(4-phenyl...)
Show SMILES COC(=O)N1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCCC1 |r|
Show InChI InChI=1S/C24H33N5O7/c1-35-24(33)29-16-18(36-23(32)28-9-5-6-10-28)15-19(21(30)25-34)20(29)22(31)27-13-11-26(12-14-27)17-7-3-2-4-8-17/h2-4,7-8,18-20,34H,5-6,9-16H2,1H3,(H,25,30)/t18-,19-,20-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10

Bioorg Med Chem Lett 19: 5037-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.052
BindingDB Entry DOI: 10.7270/Q2154J0S
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50269059
PNG
((1S,2S,5S)-N-hydroxy-2-(4-(3-isopropylphenyl)piper...)
Show SMILES CC(C)c1cccc(c1)C1CCN(CC1)C(=O)[C@H]1CC[C@H](CC(=O)N2CCCCC2)C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C29H43N3O4/c1-20(2)23-7-6-8-24(19-23)22-11-15-32(16-12-22)29(35)25-10-9-21(17-26(25)28(34)30-36)18-27(33)31-13-4-3-5-14-31/h6-8,19-22,25-26,36H,3-5,9-18H2,1-2H3,(H,30,34)/t21-,25-,26-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAM10

Bioorg Med Chem Lett 19: 3525-30 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.143
BindingDB Entry DOI: 10.7270/Q2ST7PRT
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50203527
PNG
((6S,7S)-methyl 7-(hydroxycarbamoyl)-6-(4-phenyl-1,...)
Show SMILES COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO |r,c:19|
Show InChI InChI=1S/C22H27N3O5/c1-30-21(28)25-14-22(9-10-22)13-17(19(26)23-29)18(25)20(27)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-7,17-18,29H,8-14H2,1H3,(H,23,26)/t17-,18-/m0/s1
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n/an/a 22n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113877
BindingDB Entry DOI: 10.7270/Q2PK0M78
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50229635
PNG
(4,4-dimethyl-tetrahydrofuran-3-yl 4-(hydroxycarbam...)
Show SMILES Cc1ccccc1C1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC1COCC1(C)C)C(=O)NO |w:26.28|
Show InChI InChI=1S/C26H39N3O7S/c1-19-6-4-5-7-21(19)20-8-12-29(13-9-20)37(33,34)18-26(23(30)27-32)10-14-28(15-11-26)24(31)36-22-16-35-17-25(22,2)3/h4-7,20,22,32H,8-18H2,1-3H3,(H,27,30)
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n/an/a 22n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAM10

Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50203527
PNG
((6S,7S)-methyl 7-(hydroxycarbamoyl)-6-(4-phenyl-1,...)
Show SMILES COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO |r,c:19|
Show InChI InChI=1S/C22H27N3O5/c1-30-21(28)25-14-22(9-10-22)13-17(19(26)23-29)18(25)20(27)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-7,17-18,29H,8-14H2,1H3,(H,23,26)/t17-,18-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of ADAM10

Bioorg Med Chem 16: 8781-94 (2008)


Article DOI: 10.1016/j.bmc.2008.08.058
BindingDB Entry DOI: 10.7270/Q2JD4WM2
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50332283
PNG
((R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(...)
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cccnc3)C(=O)c2c1 |r|
Show InChI InChI=1S/C20H16N4O4/c1-28-15-5-4-14-11-24(17(25)16(14)9-15)12-20(18(26)22-19(27)23-20)7-6-13-3-2-8-21-10-13/h2-5,8-10H,11-12H2,1H3,(H2,22,23,26,27)/t20-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ADAM10

Bioorg Med Chem Lett 20: 7283-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.081
BindingDB Entry DOI: 10.7270/Q2Z89CP0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM50229644
PNG
((S)-tetrahydrofuran-3-yl 4-(hydroxycarbamoyl)-4-((...)
Show SMILES ONC(=O)C1(CS(=O)(=O)N2CCC(CC2)c2ccccc2)CCN(CC1)C(=O)O[C@H]1CCOC1
Show InChI InChI=1S/C23H33N3O7S/c27-21(24-29)23(9-13-25(14-10-23)22(28)33-20-8-15-32-16-20)17-34(30,31)26-11-6-19(7-12-26)18-4-2-1-3-5-18/h1-5,19-20,29H,6-17H2,(H,24,27)/t20-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of HER2 sheddase in human BT474 cells

Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
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