Found 109 hits of ki data for polymerid = 2400,3073 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q]
(Homo sapiens (Human)) | BDBM26526
((2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylqui...)Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r| Show InChI InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1 | PDB MMDB
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| 0.0600 | -57.8 | n/a | n/a | n/a | n/a | n/a | 7.3 | 22 |
Schering-Plough Research Institute
| Assay Description Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ... |
Bioorg Med Chem Lett 19: 54-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.034 BindingDB Entry DOI: 10.7270/Q2JH3JH7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q]
(Homo sapiens (Human)) | BDBM26524
((1R,2S)-1-({3-fluoro-4-[(2-phenylquinolin-4-yl)met...)Show SMILES NC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)c(F)c2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C28H24FN3O4/c29-22-12-17(14-28(27(30)34)15-21(28)26(33)32-35)10-11-25(22)36-16-19-13-24(18-6-2-1-3-7-18)31-23-9-5-4-8-20(19)23/h1-13,21,35H,14-16H2,(H2,30,34)(H,32,33)/t21-,28+/m1/s1 | PDB MMDB
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| 0.140 | -55.7 | n/a | n/a | n/a | n/a | n/a | 7.3 | 22 |
Schering-Plough Research Institute
| Assay Description Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ... |
Bioorg Med Chem Lett 19: 54-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.034 BindingDB Entry DOI: 10.7270/Q2JH3JH7 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50227856
((3R,4R)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)met...)Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)c2ccccc2n1 |r| Show InChI InChI=1S/C24H25N3O5/c1-15-12-17(19-4-2-3-5-21(19)25-15)13-32-18-8-6-16(7-9-18)23(28)26-22-10-11-31-14-20(22)24(29)27-30/h2-9,12,20,22,30H,10-11,13-14H2,1H3,(H,26,28)(H,27,29)/t20-,22+/m0/s1 | PDB MMDB
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| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of pig TACE |
Bioorg Med Chem Lett 18: 241-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.093 BindingDB Entry DOI: 10.7270/Q2JM2BGZ |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50227856
((3R,4R)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)met...)Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)c2ccccc2n1 |r| Show InChI InChI=1S/C24H25N3O5/c1-15-12-17(19-4-2-3-5-21(19)25-15)13-32-18-8-6-16(7-9-18)23(28)26-22-10-11-31-14-20(22)24(29)27-30/h2-9,12,20,22,30H,10-11,13-14H2,1H3,(H,26,28)(H,27,29)/t20-,22+/m0/s1 | PDB MMDB
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| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens
Curated by ChEMBL
| Assay Description Inhibition of pig TACE |
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 17 [215-477,S266A,N452Q]
(Homo sapiens (Human)) | BDBM26525
((1S,2R)-1-N-hydroxy-2-({4-[(2-phenylquinolin-4-yl)...)Show SMILES NC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)cc2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C28H25N3O4/c29-27(33)28(16-23(28)26(32)31-34)15-18-10-12-21(13-11-18)35-17-20-14-25(19-6-2-1-3-7-19)30-24-9-5-4-8-22(20)24/h1-14,23,34H,15-17H2,(H2,29,33)(H,31,32)/t23-,28+/m1/s1 | PDB MMDB
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| 0.180 | -55.1 | n/a | n/a | n/a | n/a | n/a | 7.3 | 22 |
Schering-Plough Research Institute
| Assay Description Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ... |
Bioorg Med Chem Lett 19: 54-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.034 BindingDB Entry DOI: 10.7270/Q2JH3JH7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50183715
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1 Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29) | PDB MMDB
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| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens
Curated by ChEMBL
| Assay Description Inhibition of pig TACE |
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 17
(Sus scrofa (pig)) | BDBM50183715
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1 Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29) | PDB MMDB
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| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of porcine TACE |
Bioorg Med Chem Lett 16: 2699-704 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.015 BindingDB Entry DOI: 10.7270/Q2TB16H3 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM26526
((2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylqui...)Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r| Show InChI InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1 | PDB MMDB
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| 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens
Curated by ChEMBL
| Assay Description Inhibition of pig TACE |
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 | 3D Structure (crystal) |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM26526
((2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylqui...)Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r| Show InChI InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1 | PDB MMDB
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| 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | 3D Structure (crystal) |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM26526
((2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylqui...)Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r| Show InChI InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1 | PDB MMDB
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| 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Affinity for Tumor necrosis factor alpha converting enzyme (TACE) |
J Med Chem 45: 4954-7 (2002)
BindingDB Entry DOI: 10.7270/Q2XP7497 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q]
(Homo sapiens (Human)) | BDBM23489
((1R,2S)-2-N-hydroxy-1-N,1-N-dimethyl-1-({4-[(2-met...)Show SMILES CN(C)C(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)cc2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C25H27N3O4/c1-16-12-18(20-6-4-5-7-22(20)26-16)15-32-19-10-8-17(9-11-19)13-25(24(30)28(2)3)14-21(25)23(29)27-31/h4-12,21,31H,13-15H2,1-3H3,(H,27,29)/t21-,25+/m1/s1 | PDB MMDB
UniProtKB/SwissProt
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
| Assay Description Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ... |
J Med Chem 51: 725-36 (2008)
Article DOI: 10.1021/jm070376o BindingDB Entry DOI: 10.7270/Q2Q23XKR |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50104974
(2,10-Dioxo-11-(2'-trifluoromethyl-biphenyl-4-ylmet...)Show SMILES NC(=O)CNC(=O)[C@@H]1CCCCNC(=O)OCCC[C@@H]([C@@H](Cc2ccc(cc2)-c2ccccc2C(F)(F)F)C(=O)N1)C(=O)NO Show InChI InChI=1S/C30H36F3N5O7/c31-30(32,33)23-8-2-1-6-20(23)19-12-10-18(11-13-19)16-22-21(27(41)38-44)7-5-15-45-29(43)35-14-4-3-9-24(37-26(22)40)28(42)36-17-25(34)39/h1-2,6,8,10-13,21-22,24,44H,3-5,7,9,14-17H2,(H2,34,39)(H,35,43)(H,36,42)(H,37,40)(H,38,41)/t21-,22+,24-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description Inhibition of porcine TNF-alpha converting enzyme(pTACE). |
J Med Chem 44: 3351-4 (2001)
BindingDB Entry DOI: 10.7270/Q2VD6XRT |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50104973
(2,10-Dioxo-11-(2'-trifluoromethyl-biphenyl-4-ylmet...)Show SMILES ONC(=O)[C@H]1CCCOC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc1ccc(cc1)-c1ccccc1C(F)(F)F)C(=O)NCC(=O)N1CCNCC1 Show InChI InChI=1S/C34H43F3N6O7/c35-34(36,37)27-8-2-1-6-24(27)23-12-10-22(11-13-23)20-26-25(31(46)42-49)7-5-19-50-33(48)39-14-4-3-9-28(41-30(26)45)32(47)40-21-29(44)43-17-15-38-16-18-43/h1-2,6,8,10-13,25-26,28,38,49H,3-5,7,9,14-21H2,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t25-,26+,28-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description Inhibition of porcine TNF-alpha converting enzyme(pTACE). |
J Med Chem 44: 3351-4 (2001)
BindingDB Entry DOI: 10.7270/Q2VD6XRT |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q]
(Homo sapiens (Human)) | BDBM26555
(2-{[4-(but-2-yn-1-ylamino)benzene]sulfonyl}ethane-...)Show InChI InChI=1S/C12H15NO2S2/c1-2-3-8-13-11-4-6-12(7-5-11)17(14,15)10-9-16/h4-7,13,16H,8-10H2,1H3 | PDB MMDB
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| 2 | -49.2 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Vertex Pharmaceuticals
| Assay Description The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep... |
Bioorg Med Chem Lett 18: 44-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.014 BindingDB Entry DOI: 10.7270/Q2930RH8 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50104975
((8S,11R,12S)-2,10-Dioxo-11-(2'-trifluoromethyl-bip...)Show SMILES ONC(=O)[C@H]1CCCOC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc1ccc(cc1)-c1ccccc1C(F)(F)F)C(=O)NCC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C34H42F3N5O8/c35-34(36,37)27-8-2-1-6-24(27)23-12-10-22(11-13-23)20-26-25(31(45)41-48)7-5-17-50-33(47)38-14-4-3-9-28(40-30(26)44)32(46)39-21-29(43)42-15-18-49-19-16-42/h1-2,6,8,10-13,25-26,28,48H,3-5,7,9,14-21H2,(H,38,47)(H,39,46)(H,40,44)(H,41,45)/t25-,26+,28-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
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| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description Inhibition of porcine TNF-alpha converting enzyme(pTACE). |
J Med Chem 44: 3351-4 (2001)
BindingDB Entry DOI: 10.7270/Q2VD6XRT |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50104977
(11-(3',5'-Dichloro-biphenyl-4-ylmethyl)-2,10-dioxo...)Show SMILES ONC(=O)[C@H]1CCCOC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc1ccc(cc1)-c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)N1CCOCC1 Show InChI InChI=1S/C33H41Cl2N5O8/c34-24-17-23(18-25(35)19-24)22-8-6-21(7-9-22)16-27-26(31(43)39-46)4-3-13-48-33(45)36-10-2-1-5-28(38-30(27)42)32(44)37-20-29(41)40-11-14-47-15-12-40/h6-9,17-19,26-28,46H,1-5,10-16,20H2,(H,36,45)(H,37,44)(H,38,42)(H,39,43)/t26-,27+,28-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
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| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description Inhibition of porcine TNF-alpha converting enzyme(pTACE). |
J Med Chem 44: 3351-4 (2001)
BindingDB Entry DOI: 10.7270/Q2VD6XRT |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50265114
(CHEMBL495502 | N-((2R,6S)-4-(2-(hydroxyamino)-2-ox...)Show SMILES C[C@H]1C[C@](CC(=O)NO)(C[C@@H](C)N1)NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 |r| Show InChI InChI=1S/C27H32N4O4/c1-17-12-21(23-6-4-5-7-24(23)29-17)16-35-22-10-8-20(9-11-22)26(33)30-27(15-25(32)31-34)13-18(2)28-19(3)14-27/h4-12,18-19,28,34H,13-16H2,1-3H3,(H,30,33)(H,31,32)/t18-,19+,27+ | PDB MMDB
UniProtKB/SwissProt
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| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens
Curated by ChEMBL
| Assay Description Inhibition of pig TACE |
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 17
(Sus scrofa (pig)) | BDBM50104975
((8S,11R,12S)-2,10-Dioxo-11-(2'-trifluoromethyl-bip...)Show SMILES ONC(=O)[C@H]1CCCOC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc1ccc(cc1)-c1ccccc1C(F)(F)F)C(=O)NCC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C34H42F3N5O8/c35-34(36,37)27-8-2-1-6-24(27)23-12-10-22(11-13-23)20-26-25(31(45)41-48)7-5-17-50-33(47)38-14-4-3-9-28(40-30(26)44)32(46)39-21-29(43)42-15-18-49-19-16-42/h1-2,6,8,10-13,25-26,28,48H,3-5,7,9,14-21H2,(H,38,47)(H,39,46)(H,40,44)(H,41,45)/t25-,26+,28-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens
Curated by ChEMBL
| Assay Description Inhibition of pig TACE |
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 17
(Sus scrofa (pig)) | BDBM50104975
((8S,11R,12S)-2,10-Dioxo-11-(2'-trifluoromethyl-bip...)Show SMILES ONC(=O)[C@H]1CCCOC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc1ccc(cc1)-c1ccccc1C(F)(F)F)C(=O)NCC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C34H42F3N5O8/c35-34(36,37)27-8-2-1-6-24(27)23-12-10-22(11-13-23)20-26-25(31(45)41-48)7-5-17-50-33(47)38-14-4-3-9-28(40-30(26)44)32(46)39-21-29(43)42-15-18-49-19-16-42/h1-2,6,8,10-13,25-26,28,48H,3-5,7,9,14-21H2,(H,38,47)(H,39,46)(H,40,44)(H,41,45)/t25-,26+,28-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of porcine TACE |
Bioorg Med Chem Lett 13: 4293-7 (2003)
BindingDB Entry DOI: 10.7270/Q2T72GV7 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q]
(Homo sapiens (Human)) | BDBM23487
((1S,2R)-1-N-hydroxy-2-({4-[(2-methylquinolin-4-yl)...)Show SMILES Cc1cc(COc2ccc(C[C@@]3(C[C@@H]3C(=O)NO)C(N)=O)cc2)c2ccccc2n1 |r| Show InChI InChI=1S/C23H23N3O4/c1-14-10-16(18-4-2-3-5-20(18)25-14)13-30-17-8-6-15(7-9-17)11-23(22(24)28)12-19(23)21(27)26-29/h2-10,19,29H,11-13H2,1H3,(H2,24,28)(H,26,27)/t19-,23+/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3 | -48.2 | n/a | n/a | n/a | n/a | n/a | 7.3 | 22 |
Schering-Plough Research Institute
| Assay Description Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ... |
Bioorg Med Chem Lett 19: 54-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.034 BindingDB Entry DOI: 10.7270/Q2JH3JH7 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q]
(Homo sapiens (Human)) | BDBM23487
((1S,2R)-1-N-hydroxy-2-({4-[(2-methylquinolin-4-yl)...)Show SMILES Cc1cc(COc2ccc(C[C@@]3(C[C@@H]3C(=O)NO)C(N)=O)cc2)c2ccccc2n1 |r| Show InChI InChI=1S/C23H23N3O4/c1-14-10-16(18-4-2-3-5-20(18)25-14)13-30-17-8-6-15(7-9-17)11-23(22(24)28)12-19(23)21(27)26-29/h2-10,19,29H,11-13H2,1H3,(H2,24,28)(H,26,27)/t19-,23+/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
| Assay Description Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ... |
J Med Chem 51: 725-36 (2008)
Article DOI: 10.1021/jm070376o BindingDB Entry DOI: 10.7270/Q2Q23XKR |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50104978
(2,10-Dioxo-11-(3'-trifluoromethyl-biphenyl-4-ylmet...)Show SMILES ONC(=O)[C@H]1CCCOC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)C(=O)NCC(=O)N1CCNCC1 Show InChI InChI=1S/C34H43F3N6O7/c35-34(36,37)25-6-3-5-24(20-25)23-11-9-22(10-12-23)19-27-26(31(46)42-49)7-4-18-50-33(48)39-13-2-1-8-28(41-30(27)45)32(47)40-21-29(44)43-16-14-38-15-17-43/h3,5-6,9-12,20,26-28,38,49H,1-2,4,7-8,13-19,21H2,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t26-,27+,28-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description Inhibition of porcine TNF-alpha converting enzyme(pTACE). |
J Med Chem 44: 3351-4 (2001)
BindingDB Entry DOI: 10.7270/Q2VD6XRT |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50104979
(2,10-Dioxo-11-(2'-trifluoromethyl-biphenyl-4-ylmet...)Show SMILES CNC(=O)CNC(=O)[C@@H]1CCCCNC(=O)OCCC[C@@H]([C@@H](Cc2ccc(cc2)-c2ccccc2C(F)(F)F)C(=O)N1)C(=O)NO Show InChI InChI=1S/C31H38F3N5O7/c1-35-26(40)18-37-29(43)25-10-4-5-15-36-30(44)46-16-6-8-22(28(42)39-45)23(27(41)38-25)17-19-11-13-20(14-12-19)21-7-2-3-9-24(21)31(32,33)34/h2-3,7,9,11-14,22-23,25,45H,4-6,8,10,15-18H2,1H3,(H,35,40)(H,36,44)(H,37,43)(H,38,41)(H,39,42)/t22-,23+,25-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description Inhibition of porcine TNF-alpha converting enzyme(pTACE). |
J Med Chem 44: 3351-4 (2001)
BindingDB Entry DOI: 10.7270/Q2VD6XRT |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50102608
(11-Isobutyl-2,10-dioxo-1-oxa-3,9-diaza-cyclopentad...)Show SMILES CC(C)C[C@@H]1[C@H](CCCOC(=O)NCCCC[C@H](NC1=O)C(=O)NCC(=O)N1CCOCC1)C(=O)NO Show InChI InChI=1S/C24H41N5O8/c1-16(2)14-18-17(22(32)28-35)6-5-11-37-24(34)25-8-4-3-7-19(27-21(18)31)23(33)26-15-20(30)29-9-12-36-13-10-29/h16-19,35H,3-15H2,1-2H3,(H,25,34)(H,26,33)(H,27,31)(H,28,32)/t17-,18+,19-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description Inhibition of porcine TNF-alpha converting enzyme (pTACE). |
J Med Chem 44: 2636-60 (2001)
BindingDB Entry DOI: 10.7270/Q2FB53NR |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50102608
(11-Isobutyl-2,10-dioxo-1-oxa-3,9-diaza-cyclopentad...)Show SMILES CC(C)C[C@@H]1[C@H](CCCOC(=O)NCCCC[C@H](NC1=O)C(=O)NCC(=O)N1CCOCC1)C(=O)NO Show InChI InChI=1S/C24H41N5O8/c1-16(2)14-18-17(22(32)28-35)6-5-11-37-24(34)25-8-4-3-7-19(27-21(18)31)23(33)26-15-20(30)29-9-12-36-13-10-29/h16-19,35H,3-15H2,1-2H3,(H,25,34)(H,26,33)(H,27,31)(H,28,32)/t17-,18+,19-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description Inhibition of porcine TNF-alpha converting enzyme(pTACE). |
J Med Chem 44: 3351-4 (2001)
BindingDB Entry DOI: 10.7270/Q2VD6XRT |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q]
(Homo sapiens (Human)) | BDBM26556
(3-{[4-(but-2-yn-1-ylamino)benzene]sulfonyl}propane...)Show InChI InChI=1S/C13H17NO2S2/c1-2-3-9-14-12-5-7-13(8-6-12)18(15,16)11-4-10-17/h5-8,14,17H,4,9-11H2,1H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 4.5 | -47.2 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Vertex Pharmaceuticals
| Assay Description The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep... |
Bioorg Med Chem Lett 18: 44-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.014 BindingDB Entry DOI: 10.7270/Q2930RH8 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50104976
(11-(3',5'-Bis-trifluoromethyl-biphenyl-4-ylmethyl)...)Show SMILES ONC(=O)[C@H]1CCCOC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc1ccc(cc1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)NCC(=O)N1CCNCC1 Show InChI InChI=1S/C35H42F6N6O7/c36-34(37,38)24-17-23(18-25(19-24)35(39,40)41)22-8-6-21(7-9-22)16-27-26(31(50)46-53)4-3-15-54-33(52)43-10-2-1-5-28(45-30(27)49)32(51)44-20-29(48)47-13-11-42-12-14-47/h6-9,17-19,26-28,42,53H,1-5,10-16,20H2,(H,43,52)(H,44,51)(H,45,49)(H,46,50)/t26-,27+,28-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description Inhibition of porcine TNF-alpha converting enzyme(pTACE). |
J Med Chem 44: 3351-4 (2001)
BindingDB Entry DOI: 10.7270/Q2VD6XRT |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q]
(Homo sapiens (Human)) | BDBM26549
((3R)-1-{[4-(but-2-yn-1-ylamino)benzene]sulfonyl}py...)Show SMILES CC#CCNc1ccc(cc1)S(=O)(=O)N1CC[C@@H](S)C1 |r| Show InChI InChI=1S/C14H18N2O2S2/c1-2-3-9-15-12-4-6-14(7-5-12)20(17,18)16-10-8-13(19)11-16/h4-7,13,15,19H,8-11H2,1H3/t13-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | -46.9 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Vertex Pharmaceuticals
| Assay Description The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep... |
Bioorg Med Chem Lett 17: 2250-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.064 BindingDB Entry DOI: 10.7270/Q2DV1H67 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50247674
(2-[7-(3,5-Dimethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-t...)Show SMILES COc1cc(COc2ccc3c(NCCN(C(CCCCNS(C)(=O)=O)C(=O)NO)S3(=O)=O)c2)cc(OC)c1 Show InChI InChI=1S/C24H34N4O9S2/c1-35-19-12-17(13-20(14-19)36-2)16-37-18-7-8-23-21(15-18)25-10-11-28(39(23,33)34)22(24(29)27-30)6-4-5-9-26-38(3,31)32/h7-8,12-15,22,25-26,30H,4-6,9-11,16H2,1-3H3,(H,27,29) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description Inhibition of pig TACE |
Bioorg Med Chem 17: 444-59 (2009)
Article DOI: 10.1016/j.bmc.2008.11.067 BindingDB Entry DOI: 10.7270/Q2WH2QWZ |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q]
(Homo sapiens (Human)) | BDBM23477
((1R,2R)-2-N-hydroxy-1-{3-[(2-methylquinolin-4-yl)m...)Show SMILES CC(C)NC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCc2cc(C)nc3ccccc23)c1 |r| Show InChI InChI=1S/C25H27N3O4/c1-15(2)26-24(30)25(13-21(25)23(29)28-31)18-7-6-8-19(12-18)32-14-17-11-16(3)27-22-10-5-4-9-20(17)22/h4-12,15,21,31H,13-14H2,1-3H3,(H,26,30)(H,28,29)/t21-,25-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 5 | -46.9 | n/a | n/a | n/a | n/a | n/a | 7.3 | 22 |
Schering-Plough Research Institute
| Assay Description Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ... |
J Med Chem 51: 725-36 (2008)
Article DOI: 10.1021/jm070376o BindingDB Entry DOI: 10.7270/Q2Q23XKR |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50104981
(11-(2',6'-Difluoro-biphenyl-4-ylmethyl)-2,10-dioxo...)Show SMILES ONC(=O)[C@H]1CCCOC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc1ccc(cc1)-c1c(F)cccc1F)C(=O)NCC(=O)N1CCOCC1 Show InChI InChI=1S/C33H41F2N5O8/c34-25-6-3-7-26(35)29(25)22-11-9-21(10-12-22)19-24-23(31(43)39-46)5-4-16-48-33(45)36-13-2-1-8-27(38-30(24)42)32(44)37-20-28(41)40-14-17-47-18-15-40/h3,6-7,9-12,23-24,27,46H,1-2,4-5,8,13-20H2,(H,36,45)(H,37,44)(H,38,42)(H,39,43)/t23-,24+,27-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description Inhibition of porcine TNF-alpha converting enzyme(pTACE). |
J Med Chem 44: 3351-4 (2001)
BindingDB Entry DOI: 10.7270/Q2VD6XRT |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50104980
(11-(2'-Methanesulfonyl-biphenyl-4-ylmethyl)-2,10-d...)Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(C[C@@H]2[C@H](CCCOC(=O)NCCCC[C@H](NC2=O)C(=O)NCC(=O)N2CCOCC2)C(=O)NO)cc1 Show InChI InChI=1S/C34H45N5O10S/c1-50(46,47)29-10-3-2-7-25(29)24-13-11-23(12-14-24)21-27-26(32(42)38-45)8-6-18-49-34(44)35-15-5-4-9-28(37-31(27)41)33(43)36-22-30(40)39-16-19-48-20-17-39/h2-3,7,10-14,26-28,45H,4-6,8-9,15-22H2,1H3,(H,35,44)(H,36,43)(H,37,41)(H,38,42)/t26-,27+,28-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description Inhibition of porcine TNF-alpha converting enzyme(pTACE). |
J Med Chem 44: 3351-4 (2001)
BindingDB Entry DOI: 10.7270/Q2VD6XRT |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q]
(Homo sapiens (Human)) | BDBM26527
((1S,3R)-6-{3-fluoro-4-[(2-phenylquinolin-4-yl)meth...)Show SMILES ONC(=O)[C@H]1C[C@@]11CC(NC1=O)c1ccc(OCc2cc(nc3ccccc23)-c2ccccc2)c(F)c1 |r| Show InChI InChI=1S/C29H24FN3O4/c30-22-12-18(25-15-29(28(35)32-25)14-21(29)27(34)33-36)10-11-26(22)37-16-19-13-24(17-6-2-1-3-7-17)31-23-9-5-4-8-20(19)23/h1-13,21,25,36H,14-16H2,(H,32,35)(H,33,34)/t21-,25?,29-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 6.70 | -46.2 | n/a | n/a | n/a | n/a | n/a | 7.3 | 22 |
Schering-Plough Research Institute
| Assay Description Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ... |
Bioorg Med Chem Lett 19: 54-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.034 BindingDB Entry DOI: 10.7270/Q2JH3JH7 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q]
(Homo sapiens (Human)) | BDBM26553
(2-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}ethane-1-...)Show InChI InChI=1S/C12H14O3S2/c1-2-3-8-15-11-4-6-12(7-5-11)17(13,14)10-9-16/h4-7,16H,8-10H2,1H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 8 | -45.7 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Vertex Pharmaceuticals
| Assay Description The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep... |
Bioorg Med Chem Lett 18: 44-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.014 BindingDB Entry DOI: 10.7270/Q2930RH8 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q]
(Homo sapiens (Human)) | BDBM23458
(hydroxamate deriv., 48 | propan-2-yl (1R,2R)-2-(hy...)Show SMILES CC(C)OC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCc2cc(C)nc3ccccc23)c1 |r| Show InChI InChI=1S/C25H26N2O5/c1-15(2)32-24(29)25(13-21(25)23(28)27-30)18-7-6-8-19(12-18)31-14-17-11-16(3)26-22-10-5-4-9-20(17)22/h4-12,15,21,30H,13-14H2,1-3H3,(H,27,28)/t21-,25-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 8 | -45.7 | n/a | n/a | n/a | n/a | n/a | 7.3 | 22 |
Schering-Plough Research Institute
| Assay Description Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ... |
J Med Chem 51: 725-36 (2008)
Article DOI: 10.1021/jm070376o BindingDB Entry DOI: 10.7270/Q2Q23XKR |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q]
(Homo sapiens (Human)) | BDBM23484
(CHEMBL410462 | hydroxamate deriv., 34 | methyl (1R...)Show SMILES COC(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)cc2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C24H24N2O5/c1-15-11-17(19-5-3-4-6-21(19)25-15)14-31-18-9-7-16(8-10-18)12-24(23(28)30-2)13-20(24)22(27)26-29/h3-11,20,29H,12-14H2,1-2H3,(H,26,27)/t20-,24+/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
| Assay Description Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ... |
J Med Chem 51: 725-36 (2008)
Article DOI: 10.1021/jm070376o BindingDB Entry DOI: 10.7270/Q2Q23XKR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q]
(Homo sapiens (Human)) | BDBM23482
((1R,2R)-1-N-cyclohexyl-2-N-hydroxy-1-{3-[(2-methyl...)Show SMILES Cc1cc(COc2cccc(c2)[C@]2(C[C@H]2C(=O)NO)C(=O)NC2CCCCC2)c2ccccc2n1 |r| Show InChI InChI=1S/C28H31N3O4/c1-18-14-19(23-12-5-6-13-25(23)29-18)17-35-22-11-7-8-20(15-22)28(16-24(28)26(32)31-34)27(33)30-21-9-3-2-4-10-21/h5-8,11-15,21,24,34H,2-4,9-10,16-17H2,1H3,(H,30,33)(H,31,32)/t24-,28-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 9 | -45.5 | n/a | n/a | n/a | n/a | n/a | 7.3 | 22 |
Schering-Plough Research Institute
| Assay Description Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ... |
J Med Chem 51: 725-36 (2008)
Article DOI: 10.1021/jm070376o BindingDB Entry DOI: 10.7270/Q2Q23XKR |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q]
(Homo sapiens (Human)) | BDBM26554
(3-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}propane-1...)Show InChI InChI=1S/C13H16O3S2/c1-2-3-9-16-12-5-7-13(8-6-12)18(14,15)11-4-10-17/h5-8,17H,4,9-11H2,1H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| 10 | -45.2 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Vertex Pharmaceuticals
| Assay Description The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep... |
Bioorg Med Chem Lett 18: 44-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.014 BindingDB Entry DOI: 10.7270/Q2930RH8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q]
(Homo sapiens (Human)) | BDBM26550
(2-{[4-(but-2-yn-1-yloxy)benzene](methyl)sulfonamid...)Show InChI InChI=1S/C13H16N2O5S/c1-3-4-9-20-11-5-7-12(8-6-11)21(18,19)15(2)10-13(16)14-17/h5-8,17H,9-10H2,1-2H3,(H,14,16) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 10 | -45.2 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Vertex Pharmaceuticals
| Assay Description The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep... |
Bioorg Med Chem Lett 17: 2250-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.064 BindingDB Entry DOI: 10.7270/Q2DV1H67 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q]
(Homo sapiens (Human)) | BDBM26550
(2-{[4-(but-2-yn-1-yloxy)benzene](methyl)sulfonamid...)Show InChI InChI=1S/C13H16N2O5S/c1-3-4-9-20-11-5-7-12(8-6-11)21(18,19)15(2)10-13(16)14-17/h5-8,17H,9-10H2,1-2H3,(H,14,16) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 10 | -45.2 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Vertex Pharmaceuticals
| Assay Description The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep... |
Bioorg Med Chem Lett 18: 44-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.014 BindingDB Entry DOI: 10.7270/Q2930RH8 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q]
(Homo sapiens (Human)) | BDBM23480
((1R,2R)-2-N-hydroxy-1-{3-[(2-methylquinolin-4-yl)m...)Show SMILES Cc1cc(COc2cccc(c2)[C@]2(C[C@H]2C(=O)NO)C(=O)Nc2ccccc2)c2ccccc2n1 |r| Show InChI InChI=1S/C28H25N3O4/c1-18-14-19(23-12-5-6-13-25(23)29-18)17-35-22-11-7-8-20(15-22)28(16-24(28)26(32)31-34)27(33)30-21-9-3-2-4-10-21/h2-15,24,34H,16-17H2,1H3,(H,30,33)(H,31,32)/t24-,28-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 11 | -45.0 | n/a | n/a | n/a | n/a | n/a | 7.3 | 22 |
Schering-Plough Research Institute
| Assay Description Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ... |
J Med Chem 51: 725-36 (2008)
Article DOI: 10.1021/jm070376o BindingDB Entry DOI: 10.7270/Q2Q23XKR |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q]
(Homo sapiens (Human)) | BDBM23456
(hydroxamate deriv., 44 | methyl (1R,2R)-1-{3-[(3,4...)Show SMILES COC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 |r| Show InChI InChI=1S/C19H17Cl2NO5/c1-26-18(24)19(9-14(19)17(23)22-25)12-3-2-4-13(8-12)27-10-11-5-6-15(20)16(21)7-11/h2-8,14,25H,9-10H2,1H3,(H,22,23)/t14-,19-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 11 | -45.0 | n/a | n/a | n/a | n/a | n/a | 7.3 | 22 |
Schering-Plough Research Institute
| Assay Description Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ... |
J Med Chem 51: 725-36 (2008)
Article DOI: 10.1021/jm070376o BindingDB Entry DOI: 10.7270/Q2Q23XKR |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q]
(Homo sapiens (Human)) | BDBM26548
(1-{[4-(but-2-yn-1-ylamino)benzene]sulfonyl}azetidi...)Show InChI InChI=1S/C13H16N2O2S2/c1-2-3-8-14-11-4-6-13(7-5-11)19(16,17)15-9-12(18)10-15/h4-7,12,14,18H,8-10H2,1H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 11 | -45.0 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Vertex Pharmaceuticals
| Assay Description The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep... |
Bioorg Med Chem Lett 17: 2250-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.064 BindingDB Entry DOI: 10.7270/Q2DV1H67 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50102594
(7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[10.2.2]hexade...)Show SMILES CNC(=O)CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C23H34N4O6/c1-14(2)11-18-17(22(30)27-32)5-4-10-33-16-8-6-15(7-9-16)12-19(26-21(18)29)23(31)25-13-20(28)24-3/h6-9,14,17-19,32H,4-5,10-13H2,1-3H3,(H,24,28)(H,25,31)(H,26,29)(H,27,30)/t17-,18+,19-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description Inhibition of porcine TNF-alpha converting enzyme (pTACE). |
J Med Chem 44: 2636-60 (2001)
BindingDB Entry DOI: 10.7270/Q2FB53NR |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q]
(Homo sapiens (Human)) | BDBM23454
(CHEMBL270558 | hydroxamate deriv., 26 | methyl (1R...)Show SMILES COC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCc2cc(C)nc3ccccc23)c1 |r| Show InChI InChI=1S/C23H22N2O5/c1-14-10-15(18-8-3-4-9-20(18)24-14)13-30-17-7-5-6-16(11-17)23(22(27)29-2)12-19(23)21(26)25-28/h3-11,19,28H,12-13H2,1-2H3,(H,25,26)/t19-,23-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 12 | -44.8 | n/a | n/a | n/a | n/a | n/a | 7.3 | 22 |
Schering-Plough Research Institute
| Assay Description Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ... |
J Med Chem 51: 725-36 (2008)
Article DOI: 10.1021/jm070376o BindingDB Entry DOI: 10.7270/Q2Q23XKR |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q]
(Homo sapiens (Human)) | BDBM26542
(1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}azetidine...)Show InChI InChI=1S/C13H15NO3S2/c1-2-3-8-17-11-4-6-13(7-5-11)19(15,16)14-9-12(18)10-14/h4-7,12,18H,8-10H2,1H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 13 | -44.6 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Vertex Pharmaceuticals
| Assay Description The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep... |
Bioorg Med Chem Lett 17: 2250-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.064 BindingDB Entry DOI: 10.7270/Q2DV1H67 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q]
(Homo sapiens (Human)) | BDBM23488
((1R,2S)-2-N-hydroxy-1-N-methyl-1-({4-[(2-methylqui...)Show SMILES CNC(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)cc2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C24H25N3O4/c1-15-11-17(19-5-3-4-6-21(19)26-15)14-31-18-9-7-16(8-10-18)12-24(23(29)25-2)13-20(24)22(28)27-30/h3-11,20,30H,12-14H2,1-2H3,(H,25,29)(H,27,28)/t20-,24+/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
| Assay Description Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ... |
J Med Chem 51: 725-36 (2008)
Article DOI: 10.1021/jm070376o BindingDB Entry DOI: 10.7270/Q2Q23XKR |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q]
(Homo sapiens (Human)) | BDBM23476
(ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-{3-[(2-methyl...)Show SMILES CCOC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCc2cc(C)nc3ccccc23)c1 |r| Show InChI InChI=1S/C24H24N2O5/c1-3-30-23(28)24(13-20(24)22(27)26-29)17-7-6-8-18(12-17)31-14-16-11-15(2)25-21-10-5-4-9-19(16)21/h4-12,20,29H,3,13-14H2,1-2H3,(H,26,27)/t20-,24-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 16 | -44.0 | n/a | n/a | n/a | n/a | n/a | 7.3 | 22 |
Schering-Plough Research Institute
| Assay Description Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ... |
J Med Chem 51: 725-36 (2008)
Article DOI: 10.1021/jm070376o BindingDB Entry DOI: 10.7270/Q2Q23XKR |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q]
(Homo sapiens (Human)) | BDBM26559
(3-{[4-(but-2-yn-1-ylamino)benzene]sulfonyl}cyclohe...)Show InChI InChI=1S/C16H21NO2S2/c1-2-3-11-17-13-7-9-15(10-8-13)21(18,19)16-6-4-5-14(20)12-16/h7-10,14,16-17,20H,4-6,11-12H2,1H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 17 | -43.9 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Vertex Pharmaceuticals
| Assay Description The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep... |
Bioorg Med Chem Lett 18: 44-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.014 BindingDB Entry DOI: 10.7270/Q2930RH8 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q]
(Homo sapiens (Human)) | BDBM23464
(hydroxamate deriv., 56 | methyl (1R,2R)-2-(hydroxy...)Show SMILES COC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCc2ccc(cc2)C(F)(F)F)c1 |r| Show InChI InChI=1S/C20H18F3NO5/c1-28-18(26)19(10-16(19)17(25)24-27)14-3-2-4-15(9-14)29-11-12-5-7-13(8-6-12)20(21,22)23/h2-9,16,27H,10-11H2,1H3,(H,24,25)/t16-,19-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 18 | -43.8 | n/a | n/a | n/a | n/a | n/a | 7.3 | 22 |
Schering-Plough Research Institute
| Assay Description Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ... |
J Med Chem 51: 725-36 (2008)
Article DOI: 10.1021/jm070376o BindingDB Entry DOI: 10.7270/Q2Q23XKR |
More data for this Ligand-Target Pair | |