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There are 189 purchasable compounds for target: ADAM17

Wt: 425.8
BDBM11863
Purchase
Wt: 316.3
BDBM13080
Purchase
Wt: 360.4
BDBM19190
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Wt: 436.5
BDBM30344
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Wt: 390.4
BDBM31354
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Wt: 452.5
BDBM38971
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Wt: 252.2
BDBM37275
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Wt: 311.3
BDBM37106
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Wt: 318.2
BDBM39719
Purchase
Wt: 568.9
BDBM43128
Purchase
Wt: 462.6
BDBM42818
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Wt: 363.4
BDBM42653
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Wt: 368.4
BDBM41667
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Wt: 366.4
BDBM44653
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Wt: 366.3
BDBM44461
Purchase
Displayed 1 to 15 (of 232 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 11863,13080,19190,30344,31354,38971,37275,37106,39719,43128,42818,42653,41667,44653,44461   
Target
(Institution)
LigandTarget
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
ADAM17


(Homo sapiens (Human))
BDBM30344
PNG
(Cipemastat | Trocade)
Show SMILES CN1C(=O)N(C[C@@H]([C@@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)NO)C(=O)C1(C)C
Show InChI InChI=1S/C22H36N4O5/c1-22(2)20(29)26(21(30)24(22)3)14-17(18(27)23-31)16(13-15-9-5-6-10-15)19(28)25-11-7-4-8-12-25/h15-17,31H,4-14H2,1-3H3,(H,23,27)/t16-,17+/m1/s1
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PubMed
230n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to recombinant TACE


Bioorg Med Chem Lett 16: 2632-6 (2006)

More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM13080
PNG
(CGS 27023A Analog 3 | N-hydroxy-2-[(4-methoxybenze...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
Show InChI InChI=1S/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16)
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PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAM17 by fluorometric assay


J Med Chem 53: 2622-35 (2010)

More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM30344
PNG
(Cipemastat | Trocade)
Show SMILES CN1C(=O)N(C[C@@H]([C@@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)NO)C(=O)C1(C)C
Show InChI InChI=1S/C22H36N4O5/c1-22(2)20(29)26(21(30)24(22)3)14-17(18(27)23-31)16(13-15-9-5-6-10-15)19(28)25-11-7-4-8-12-25/h15-17,31H,4-14H2,1-3H3,(H,23,27)/t16-,17+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of LPS/interferon gamma-stimulated TNFalpha release from HPBMC


Bioorg Med Chem Lett 16: 2632-6 (2006)

More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM41667
PNG
(5-[bis(1H-indol-3-yl)methyl]-2-methoxy-phenol | 5-...)
Show SMILES COc1ccc(cc1O)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C24H20N2O2/c1-28-23-11-10-15(12-22(23)27)24(18-13-25-20-8-4-2-6-16(18)20)19-14-26-21-9-5-3-7-17(19)21/h2-14,24-27H,1H3
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n/an/a 6.95E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM42818
PNG
(3-({4-[(4-phenyl-1-piperazinyl)carbonyl]cyclohexyl...)
Show SMILES O=C(C1CCC(Cn2c(=S)[nH]c3ccccc3c2=O)CC1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C26H30N4O2S/c31-24(29-16-14-28(15-17-29)21-6-2-1-3-7-21)20-12-10-19(11-13-20)18-30-25(32)22-8-4-5-9-23(22)27-26(30)33/h1-9,19-20H,10-18H2,(H,27,33)
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n/an/a 6.95E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM43128
PNG
(2-(4-bromanyl-8-chloranyl-naphthalen-1-yl)sulfanyl...)
Show SMILES Clc1cccc2c(Br)ccc(SCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nccs3)c12
Show InChI InChI=1S/C21H15BrClN3O3S3/c22-16-8-9-18(20-15(16)2-1-3-17(20)23)31-12-19(27)25-13-4-6-14(7-5-13)32(28,29)26-21-24-10-11-30-21/h1-11H,12H2,(H,24,26)(H,25,27)
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n/an/a 6.95E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM38971
PNG
(1-(2,3-dimethylphenyl)-4-(5-{[(2-methylphenyl)sulf...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)c2ccc(CS(=O)(=O)c3ccccc3C)o2)c1C
Show InChI InChI=1S/C25H28N2O4S/c1-18-8-6-9-22(20(18)3)26-13-15-27(16-14-26)25(28)23-12-11-21(31-23)17-32(29,30)24-10-5-4-7-19(24)2/h4-12H,13-17H2,1-3H3
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n/an/a 6.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
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n/an/a 14n/an/an/an/an/an/a



Pharmaceutical Research Division, Takeda Pharmaceutical Company Limited , 26-1, Muraoka-Higashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TACE using Cy3-PLAQAV(Cy5Q-L-2,3-diaminopropionic acid)-RSSSRNH2 as substrate after 40 mins by spectrofluorimetry


J Med Chem 57: 8886-902 (2014)

More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM37275
PNG
(4-[3-(2-methylphenyl)-2H-1,2,4-oxadiazol-5-ylidene...)
Show SMILES Cc1ccccc1-c1noc(n1)-c1ccc(O)cc1
Show InChI InChI=1S/C15H12N2O2/c1-10-4-2-3-5-13(10)14-16-15(19-17-14)11-6-8-12(18)9-7-11/h2-9,18H,1H3
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n/an/a 6.95E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM44461
PNG
(5-[(2-methoxyphenyl)-oxomethoxy]-1-phenyl-3-pyrazo...)
Show SMILES CCOC(=O)c1cc(OC(=O)c2ccccc2OC)n(n1)-c1ccccc1
Show InChI InChI=1S/C20H18N2O5/c1-3-26-20(24)16-13-18(22(21-16)14-9-5-4-6-10-14)27-19(23)15-11-7-8-12-17(15)25-2/h4-13H,3H2,1-2H3
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n/an/a 6.95E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM39719
PNG
((4-chlorophenyl)-[2-(3-chlorophenyl)-5-methyl-pyra...)
Show SMILES Cc1cc(Nc2ccc(Cl)cc2)n(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C16H13Cl2N3/c1-11-9-16(19-14-7-5-12(17)6-8-14)21(20-11)15-4-2-3-13(18)10-15/h2-10,19H,1H3
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n/an/a 6.95E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM31354
PNG
(3-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(4-nitroa...)
Show SMILES COc1ccc(cc1)C(CC(=O)c1ccc(C)cc1)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H22N2O4/c1-16-3-5-18(6-4-16)23(26)15-22(17-7-13-21(29-2)14-8-17)24-19-9-11-20(12-10-19)25(27)28/h3-14,22,24H,15H2,1-2H3
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n/an/a 6.95E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM44653
PNG
(3-(2,2-dimethylpropanoylamino)-N-(4-methoxyphenyl)...)
Show SMILES COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C21H22N2O4/c1-21(2,3)20(25)23-17-15-7-5-6-8-16(15)27-18(17)19(24)22-13-9-11-14(26-4)12-10-13/h5-12H,1-4H3,(H,22,24)(H,23,25)
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n/an/a 6.95E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM42653
PNG
((6E)-6-[2-amino-5-(4-methoxyphenyl)-1H-pyrimidin-6...)
Show SMILES COc1ccc(cc1)-c1cnc(N)nc1-c1ccc(OCC(C)=C)cc1O
Show InChI InChI=1S/C21H21N3O3/c1-13(2)12-27-16-8-9-17(19(25)10-16)20-18(11-23-21(22)24-20)14-4-6-15(26-3)7-5-14/h4-11,25H,1,12H2,2-3H3,(H2,22,23,24)
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n/an/a 6.95E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM19190
PNG
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
Show InChI InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
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US Patent
n/an/a 14.9n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...


US Patent US8901310 (2014)

More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
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n/an/a 14n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TACE using Cy3-PLAQAV(Cy5QL-2,3-diaminopropionic acid)-RSSSR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)

More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
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n/an/a 176n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)

More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM37106
PNG
(5-hydroxy-1-(4-methoxyphenyl)-2-methyl-3-indolecar...)
Show SMILES COC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C18H17NO4/c1-11-17(18(21)23-3)15-10-13(20)6-9-16(15)19(11)12-4-7-14(22-2)8-5-12/h4-10,20H,1-3H3
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n/an/a 6.95E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair