Found 337 hits of ki data for polymerid = 5169,8198 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 |
|---|
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50433865
(CHEMBL2380402)Show SMILES CC(=O)NCCCCCC(=O)N1C[C@H](S)[C@H](C1)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C24H31N3O5S2/c1-18(28)25-15-7-3-6-10-24(29)27-16-22(23(33)17-27)26-34(30,31)21-13-11-20(12-14-21)32-19-8-4-2-5-9-19/h2,4-5,8-9,11-14,22-23,26,33H,3,6-7,10,15-17H2,1H3,(H,25,28)/t22-,23-/m0/s1 | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida State University
Curated by ChEMBL
| Assay Description
Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay |
J Med Chem 56: 4357-73 (2013)
Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50433864
(CHEMBL2380403)Show SMILES NCCCCCC(=O)N1C[C@H](S)[C@H](C1)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C22H29N3O4S2/c23-14-6-2-5-9-22(26)25-15-20(21(30)16-25)24-31(27,28)19-12-10-18(11-13-19)29-17-7-3-1-4-8-17/h1,3-4,7-8,10-13,20-21,24,30H,2,5-6,9,14-16,23H2/t20-,21-/m0/s1 | PDB
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| | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50433878
(CHEMBL2380389)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C[C@H]1S)C(=O)CCCN1C(=O)c2ccccc2C1=O |r| Show InChI InChI=1S/C32H40N4O5S2/c1-20(2)16-26(30(39)34-24(29(38)33-3)17-21-10-5-4-6-11-21)43-27-19-35(18-25(27)42)28(37)14-9-15-36-31(40)22-12-7-8-13-23(22)32(36)41/h4-8,10-13,20,24-27,42H,9,14-19H2,1-3H3,(H,33,38)(H,34,39)/t24-,25+,26+,27-/m0/s1 | PDB
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida State University
Curated by ChEMBL
| Assay Description
Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay |
J Med Chem 56: 4357-73 (2013)
Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50433880
(CHEMBL2380387)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C[C@H]1S)C(C)=O |r| Show InChI InChI=1S/C22H33N3O3S2/c1-14(2)10-19(30-20-13-25(15(3)26)12-18(20)29)22(28)24-17(21(27)23-4)11-16-8-6-5-7-9-16/h5-9,14,17-20,29H,10-13H2,1-4H3,(H,23,27)(H,24,28)/t17-,18+,19+,20-/m0/s1 | PDB
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| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida State University
Curated by ChEMBL
| Assay Description
Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay |
J Med Chem 56: 4357-73 (2013)
Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50433864
(CHEMBL2380403)Show SMILES NCCCCCC(=O)N1C[C@H](S)[C@H](C1)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C22H29N3O4S2/c23-14-6-2-5-9-22(26)25-15-20(21(30)16-25)24-31(27,28)19-12-10-18(11-13-19)29-17-7-3-1-4-8-17/h1,3-4,7-8,10-13,20-21,24,30H,2,5-6,9,14-16,23H2/t20-,21-/m0/s1 | PDB
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| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida State University
Curated by ChEMBL
| Assay Description
Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay |
J Med Chem 56: 4357-73 (2013)
Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50433877
(CHEMBL2380390)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C[C@H]1S)C(=O)CCCCCN1C(=O)c2ccccc2C1=O |r| Show InChI InChI=1S/C34H44N4O5S2/c1-22(2)18-28(32(41)36-26(31(40)35-3)19-23-12-6-4-7-13-23)45-29-21-37(20-27(29)44)30(39)16-8-5-11-17-38-33(42)24-14-9-10-15-25(24)34(38)43/h4,6-7,9-10,12-15,22,26-29,44H,5,8,11,16-21H2,1-3H3,(H,35,40)(H,36,41)/t26-,27+,28+,29-/m0/s1 | PDB
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida State University
Curated by ChEMBL
| Assay Description
Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay |
J Med Chem 56: 4357-73 (2013)
Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50592895
(CHEMBL5187653)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)C(CC(C)C)[C@H](CC=C)C(=O)NO |r| | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01855
BindingDB Entry DOI: 10.7270/Q2GB281X |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50433871
(CHEMBL2380396)Show SMILES S[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C17H19NO3S2/c19-23(20,18-16-7-4-8-17(16)22)15-11-9-14(10-12-15)21-13-5-2-1-3-6-13/h1-3,5-6,9-12,16-18,22H,4,7-8H2/t16-,17-/m1/s1 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida State University
Curated by ChEMBL
| Assay Description
Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay |
J Med Chem 56: 4357-73 (2013)
Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50433868
(CHEMBL2380400)Show SMILES NC(=O)N1C[C@H](S)[C@H](C1)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C17H19N3O4S2/c18-17(21)20-10-15(16(25)11-20)19-26(22,23)14-8-6-13(7-9-14)24-12-4-2-1-3-5-12/h1-9,15-16,19,25H,10-11H2,(H2,18,21)/t15-,16-/m0/s1 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida State University
Curated by ChEMBL
| Assay Description
Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay |
J Med Chem 56: 4357-73 (2013)
Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50343077
(CHEMBL1771212 | N-hydroxy-1-(2-methoxyethyl)-4-(4-...)Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C22H25F3N2O7S/c1-32-15-14-27-12-10-21(11-13-27,20(28)26-29)35(30,31)19-8-6-17(7-9-19)33-16-2-4-18(5-3-16)34-22(23,24)25/h2-9,29H,10-15H2,1H3,(H,26,28) | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human MMP-14 |
Bioorg Med Chem Lett 21: 2820-2 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50433866
(CHEMBL2380314)Show SMILES S[C@H]1CN(C[C@@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NCCN1C(=O)c2ccccc2C1=O |r| Show InChI InChI=1S/C27H26N4O6S2/c32-25-21-8-4-5-9-22(21)26(33)31(25)15-14-28-27(34)30-16-23(24(38)17-30)29-39(35,36)20-12-10-19(11-13-20)37-18-6-2-1-3-7-18/h1-13,23-24,29,38H,14-17H2,(H,28,34)/t23-,24-/m0/s1 | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida State University
Curated by ChEMBL
| Assay Description
Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay |
J Med Chem 56: 4357-73 (2013)
Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50078947
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-ca...)Show SMILES COc1ccc(CSCC(CP(O)(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(N)=O)cc1 Show InChI InChI=1S/C39H43N4O7PS/c1-49-32-18-16-29(17-19-32)25-52-26-31(38(45)42-35(37(40)44)21-30-22-41-34-15-9-8-14-33(30)34)24-51(47,48)36(20-27-10-4-2-5-11-27)43-39(46)50-23-28-12-6-3-7-13-28/h2-19,22,31,35-36,41H,20-21,23-26H2,1H3,(H2,40,44)(H,42,45)(H,43,46)(H,47,48) | PDB
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| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CEA
Curated by ChEMBL
| Assay Description
Binding affinity against matrix metalloprotease-14 MTI-MMP. |
J Med Chem 42: 2610-20 (1999)
Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50078937
((1-Benzyloxycarbonylamino-ethyl)-{3-benzylsulfanyl...)Show SMILES CC(NC(=O)OCc1ccccc1)P(O)(=O)CC(CSCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C32H37N4O6PS/c1-22(35-32(39)42-18-23-10-4-2-5-11-23)43(40,41)19-26(21-44-20-24-12-6-3-7-13-24)31(38)36-29(30(33)37)16-25-17-34-28-15-9-8-14-27(25)28/h2-15,17,22,26,29,34H,16,18-21H2,1H3,(H2,33,37)(H,35,39)(H,36,38)(H,40,41) | PDB
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CEA
Curated by ChEMBL
| Assay Description
Binding affinity against matrix metalloprotease-14 MTI-MMP. |
J Med Chem 42: 2610-20 (1999)
Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50423397
(CHEMBL398271)Show SMILES CC(=N)P(O)(O)CC(CSCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C24H31N4O4PS/c1-16(25)33(31,32)13-19(15-34-14-17-7-3-2-4-8-17)24(30)28-22(23(26)29)11-18-12-27-21-10-6-5-9-20(18)21/h2-10,12,19,22,25,27,31-33H,11,13-15H2,1H3,(H2,26,29)(H,28,30) | PDB
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description
Inhibition of MMP14 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50433872
(CHEMBL2380395)Show SMILES S[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C17H19NO3S2/c19-23(20,18-16-7-4-8-17(16)22)15-11-9-14(10-12-15)21-13-5-2-1-3-6-13/h1-3,5-6,9-12,16-18,22H,4,7-8H2/t16-,17-/m0/s1 | PDB
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| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida State University
Curated by ChEMBL
| Assay Description
Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay |
J Med Chem 56: 4357-73 (2013)
Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50433872
(CHEMBL2380395)Show SMILES S[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C17H19NO3S2/c19-23(20,18-16-7-4-8-17(16)22)15-11-9-14(10-12-15)21-13-5-2-1-3-6-13/h1-3,5-6,9-12,16-18,22H,4,7-8H2/t16-,17-/m0/s1 | PDB
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| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida State University
Curated by ChEMBL
| Assay Description
Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay |
J Med Chem 56: 4357-73 (2013)
Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50078935
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1 Show InChI InChI=1S/C40H41Cl2N6O5P/c41-29-20-32(42)31-22-35(46-34(31)21-29)39(50)47-37(18-26-12-5-2-6-13-26)54(52,53)24-27(15-9-14-25-10-3-1-4-11-25)40(51)48(44)36(38(43)49)19-28-23-45-33-17-8-7-16-30(28)33/h1-8,10-13,16-17,20-23,27,36-37,45-46H,9,14-15,18-19,24,44H2,(H2,43,49)(H,47,50)(H,52,53) | PDB
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| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CEA
Curated by ChEMBL
| Assay Description
Binding affinity against matrix metalloprotease-14 MTI-MMP. |
J Med Chem 42: 2610-20 (1999)
Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50264809
(2-((4-phenoxyphenylsulfonyl)methyl)thiirane | CHEM...)Show InChI InChI=1S/C15H14O3S2/c16-20(17,11-14-10-19-14)15-8-6-13(7-9-15)18-12-4-2-1-3-5-12/h1-9,14H,10-11H2 | PDB
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| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Competitive inhibition of human MMP14 using fluorogenic substrate by Dixon plot analysis |
ACS Med Chem Lett 3: 490-495 (2012)
Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM408486
(US10357546, ND-3640)Show SMILES NC(=N)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1 Show InChI InChI=1S/C16H17N3O3S2/c17-16(18)19-11-1-3-12(4-2-11)22-13-5-7-15(8-6-13)24(20,21)10-14-9-23-14/h1-8,14H,9-10H2,(H4,17,18,19) | PDB
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| | 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50078951
(CHEMBL87159 | [1-(2-Benzyloxy-acetylamino)-2-pheny...)Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)COCc1ccccc1 Show InChI InChI=1S/C40H45N4O6P/c41-39(46)36(24-33-25-42-35-22-11-10-21-34(33)35)43-40(47)32(20-12-19-29-13-4-1-5-14-29)28-51(48,49)38(23-30-15-6-2-7-16-30)44-37(45)27-50-26-31-17-8-3-9-18-31/h1-11,13-18,21-22,25,32,36,38,42H,12,19-20,23-24,26-28H2,(H2,41,46)(H,43,47)(H,44,45)(H,48,49) | PDB
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| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CEA
Curated by ChEMBL
| Assay Description
Binding affinity against matrix metalloprotease-14 MTI-MMP. |
J Med Chem 42: 2610-20 (1999)
Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50078950
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C40H43N6O5P/c41-38(47)36(24-31-25-43-34-21-10-8-19-32(31)34)46(42)40(49)30(18-11-16-27-12-3-1-4-13-27)26-52(50,51)37(22-28-14-5-2-6-15-28)45-39(48)35-23-29-17-7-9-20-33(29)44-35/h1-10,12-15,17,19-21,23,25,30,36-37,43-44H,11,16,18,22,24,26,42H2,(H2,41,47)(H,45,48)(H,50,51) | PDB
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| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CEA
Curated by ChEMBL
| Assay Description
Binding affinity against matrix metalloprotease-14 MTI-MMP. |
J Med Chem 42: 2610-20 (1999)
Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50078946
(CHEMBL313360 | [1-(2-Benzyloxycarbonylamino-propio...)Show SMILES CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)N(N)C(Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C42H49N6O7P/c1-29(46-42(52)55-27-32-18-9-4-10-19-32)40(50)47-38(24-31-16-7-3-8-17-31)56(53,54)28-33(21-13-20-30-14-5-2-6-15-30)41(51)48(44)37(39(43)49)25-34-26-45-36-23-12-11-22-35(34)36/h2-12,14-19,22-23,26,29,33,37-38,45H,13,20-21,24-25,27-28,44H2,1H3,(H2,43,49)(H,46,52)(H,47,50)(H,53,54) | PDB
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| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CEA
Curated by ChEMBL
| Assay Description
Binding affinity against matrix metalloprotease-14 MTI-MMP. |
J Med Chem 42: 2610-20 (1999)
Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50078945
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)CNc1cccc(Cl)c1 Show InChI InChI=1S/C39H44ClN6O5P/c40-31-17-10-18-32(23-31)43-25-36(47)45-37(21-28-13-5-2-6-14-28)52(50,51)26-29(16-9-15-27-11-3-1-4-12-27)39(49)46(42)35(38(41)48)22-30-24-44-34-20-8-7-19-33(30)34/h1-8,10-14,17-20,23-24,29,35,37,43-44H,9,15-16,21-22,25-26,42H2,(H2,41,48)(H,45,47)(H,50,51) | PDB
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| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CEA
Curated by ChEMBL
| Assay Description
Binding affinity against matrix metalloprotease-14 MTI-MMP. |
J Med Chem 42: 2610-20 (1999)
Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50104710
((R)-N-(5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-yl...)Show SMILES C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1 |c:18,t:16| Show InChI InChI=1S/C18H17ClN4O3S2/c1-12(23-28(25,26)15-5-3-2-4-6-15)17(24)20-18-22-21-16(11-27-18)13-7-9-14(19)10-8-13/h2-10,12,23H,11H2,1H3,(H,20,22,24)/t12-/m1/s1 | PDB
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| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Bielefeld
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-14 |
J Med Chem 44: 3231-43 (2001)
BindingDB Entry DOI: 10.7270/Q2RN3758 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50459506
(CHEMBL4214929)Show SMILES Cl.NCc1ccc(Oc2ccc(cc2)S(=O)(=O)C[C@@H]2CS2)cc1 |r| Show InChI InChI=1S/C16H17NO3S2.ClH/c17-9-12-1-3-13(4-2-12)20-14-5-7-16(8-6-14)22(18,19)11-15-10-21-15;/h1-8,15H,9-11,17H2;1H/t15-;/m0./s1 | PDB
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| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Notre Dame
Curated by ChEMBL
| Assay Description
Slow binding inhibition of human recombinant MMP14 catalytic domain using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 substrate |
J Med Chem 61: 8825-8837 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01005
BindingDB Entry DOI: 10.7270/Q2BZ68PX |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50078941
(CHEMBL88188 | [1-(2-Benzyloxycarbonylamino-4-methy...)Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)N(N)C(Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C45H55N6O7P/c1-31(2)25-39(49-45(55)58-29-34-19-10-5-11-20-34)43(53)50-41(26-33-17-8-4-9-18-33)59(56,57)30-35(22-14-21-32-15-6-3-7-16-32)44(54)51(47)40(42(46)52)27-36-28-48-38-24-13-12-23-37(36)38/h3-13,15-20,23-24,28,31,35,39-41,48H,14,21-22,25-27,29-30,47H2,1-2H3,(H2,46,52)(H,49,55)(H,50,53)(H,56,57) | PDB
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| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CEA
Curated by ChEMBL
| Assay Description
Binding affinity against matrix metalloprotease-14 MTI-MMP. |
J Med Chem 42: 2610-20 (1999)
Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50078932
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C41H43N6O5P/c42-39(48)37(25-32-26-44-35-21-10-8-19-33(32)35)47(43)41(50)31(18-11-16-28-12-3-1-4-13-28)27-53(51,52)38(24-29-14-5-2-6-15-29)46-40(49)36-23-22-30-17-7-9-20-34(30)45-36/h1-10,12-15,17,19-23,26,31,37-38,44H,11,16,18,24-25,27,43H2,(H2,42,48)(H,46,49)(H,51,52) | PDB
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| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CEA
Curated by ChEMBL
| Assay Description
Binding affinity against matrix metalloprotease-14 MTI-MMP. |
J Med Chem 42: 2610-20 (1999)
Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50433867
(CHEMBL2380401)Show SMILES CN([C@H]1CN(C[C@@H]1S)C(N)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C18H21N3O4S2/c1-20(16-11-21(18(19)22)12-17(16)26)27(23,24)15-9-7-14(8-10-15)25-13-5-3-2-4-6-13/h2-10,16-17,26H,11-12H2,1H3,(H2,19,22)/t16-,17-/m0/s1 | PDB
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| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida State University
Curated by ChEMBL
| Assay Description
Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay |
J Med Chem 56: 4357-73 (2013)
Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50433867
(CHEMBL2380401)Show SMILES CN([C@H]1CN(C[C@@H]1S)C(N)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C18H21N3O4S2/c1-20(16-11-21(18(19)22)12-17(16)26)27(23,24)15-9-7-14(8-10-15)25-13-5-3-2-4-6-13/h2-10,16-17,26H,11-12H2,1H3,(H2,19,22)/t16-,17-/m0/s1 | PDB
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| | 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50078929
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)CNc1cc(Cl)ccc1O Show InChI InChI=1S/C39H44ClN6O6P/c40-30-18-19-35(47)33(22-30)44-24-36(48)45-37(20-27-12-5-2-6-13-27)53(51,52)25-28(15-9-14-26-10-3-1-4-11-26)39(50)46(42)34(38(41)49)21-29-23-43-32-17-8-7-16-31(29)32/h1-8,10-13,16-19,22-23,28,34,37,43-44,47H,9,14-15,20-21,24-25,42H2,(H2,41,49)(H,45,48)(H,51,52) | PDB
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| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CEA
Curated by ChEMBL
| Assay Description
Binding affinity against matrix metalloprotease-14 MTI-MMP. |
J Med Chem 42: 2610-20 (1999)
Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50265157
((6S,7S)-N-hydroxy-5-methyl-6-(4-(5-(trifluoromethy...)Show SMILES CN1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NO |r| Show InChI InChI=1S/C20H26F3N5O3/c1-26-12-19(4-5-19)10-14(17(29)25-31)16(26)18(30)28-8-6-27(7-9-28)15-3-2-13(11-24-15)20(21,22)23/h2-3,11,14,16,31H,4-10,12H2,1H3,(H,25,29)/t14-,16-/m0/s1 | PDB
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| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Notre Dame
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human MMP14 catalytic domain (89 to 265 residues) expressed in Escherichia coli using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-A... |
ACS Med Chem Lett 9: 708-713 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00163
BindingDB Entry DOI: 10.7270/Q25M688J |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50433875
(CHEMBL2380392)Show SMILES S[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C17H19NO3S2/c19-23(20,18-16-7-4-8-17(16)22)15-11-9-14(10-12-15)21-13-5-2-1-3-6-13/h1-3,5-6,9-12,16-18,22H,4,7-8H2/t16-,17+/m0/s1 | PDB
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| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida State University
Curated by ChEMBL
| Assay Description
Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay |
J Med Chem 56: 4357-73 (2013)
Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50433879
(CHEMBL2380388)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C[C@H]1S)C(=O)CN1C(=O)c2ccccc2C1=O |r| Show InChI InChI=1S/C30H36N4O5S2/c1-18(2)13-24(28(37)32-22(27(36)31-3)14-19-9-5-4-6-10-19)41-25-16-33(15-23(25)40)26(35)17-34-29(38)20-11-7-8-12-21(20)30(34)39/h4-12,18,22-25,40H,13-17H2,1-3H3,(H,31,36)(H,32,37)/t22-,23+,24+,25-/m0/s1 | PDB
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| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida State University
Curated by ChEMBL
| Assay Description
Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay |
J Med Chem 56: 4357-73 (2013)
Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50078928
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)CNc1ccccc1 Show InChI InChI=1S/C39H45N6O5P/c40-38(47)35(24-31-25-43-34-22-11-10-21-33(31)34)45(41)39(48)30(18-12-17-28-13-4-1-5-14-28)27-51(49,50)37(23-29-15-6-2-7-16-29)44-36(46)26-42-32-19-8-3-9-20-32/h1-11,13-16,19-22,25,30,35,37,42-43H,12,17-18,23-24,26-27,41H2,(H2,40,47)(H,44,46)(H,49,50) | PDB
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| 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CEA
Curated by ChEMBL
| Assay Description
Binding affinity against matrix metalloprotease-14 MTI-MMP. |
J Med Chem 42: 2610-20 (1999)
Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50388914
(CHEMBL2063274 | US10357546, p-OH SB-3CT)Show InChI InChI=1S/C15H14O4S2/c16-11-1-3-12(4-2-11)19-13-5-7-15(8-6-13)21(17,18)10-14-9-20-14/h1-8,14,16H,9-10H2 | PDB
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| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Competitive inhibition of human MMP14 using fluorogenic substrate by Dixon plot analysis |
ACS Med Chem Lett 3: 490-495 (2012)
Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50078943
((1-Acetylamino-2-phenyl-ethyl)-{2-[1-carbamoyl-2-(...)Show SMILES CC(=O)NC(Cc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C33H39N4O5P/c1-23(38)36-31(19-25-13-6-3-7-14-25)43(41,42)22-26(16-10-15-24-11-4-2-5-12-24)33(40)37-30(32(34)39)20-27-21-35-29-18-9-8-17-28(27)29/h2-9,11-14,17-18,21,26,30-31,35H,10,15-16,19-20,22H2,1H3,(H2,34,39)(H,36,38)(H,37,40)(H,41,42) | PDB
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| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CEA
Curated by ChEMBL
| Assay Description
Binding affinity against matrix metalloprotease-14 MTI-MMP. |
J Med Chem 42: 2610-20 (1999)
Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50423403
(CHEMBL251253)Show SMILES CC(=N)P(O)(O)CC(CCCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C25H33N4O4P/c1-17(26)34(32,33)16-19(11-7-10-18-8-3-2-4-9-18)25(31)29-23(24(27)30)14-20-15-28-22-13-6-5-12-21(20)22/h2-6,8-9,12-13,15,19,23,26,28,32-34H,7,10-11,14,16H2,1H3,(H2,27,30)(H,29,31) | PDB
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| 91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description
Inhibition of MMP14 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50078954
((1-Benzyloxycarbonylamino-ethyl)-{2-[1-carbamoyl-2...)Show SMILES CC(NC(=O)OCc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C33H39N4O6P/c1-23(36-33(40)43-21-25-13-6-3-7-14-25)44(41,42)22-26(16-10-15-24-11-4-2-5-12-24)32(39)37-30(31(34)38)19-27-20-35-29-18-9-8-17-28(27)29/h2-9,11-14,17-18,20,23,26,30,35H,10,15-16,19,21-22H2,1H3,(H2,34,38)(H,36,40)(H,37,39)(H,41,42) | PDB
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| 92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CEA
Curated by ChEMBL
| Assay Description
Binding affinity against matrix metalloprotease-14 MTI-MMP. |
J Med Chem 42: 2610-20 (1999)
Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | 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
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| 94 | 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 matrix metalloprotease-14 |
J Med Chem 44: 2636-60 (2001)
BindingDB Entry DOI: 10.7270/Q2FB53NR |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50354624
(CHEMBL1834422 | US10357546, ND-322 | US9951035, ND...)Show InChI InChI=1S/C15H15NO3S2/c16-11-1-3-12(4-2-11)19-13-5-7-15(8-6-13)21(17,18)10-14-9-20-14/h1-8,14H,9-10,16H2 | PDB
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| | 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50104721
((S)-N-(5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-yl...)Show SMILES C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1 |c:18,t:16| Show InChI InChI=1S/C18H17ClN4O3S2/c1-12(23-28(25,26)15-5-3-2-4-6-15)17(24)20-18-22-21-16(11-27-18)13-7-9-14(19)10-8-13/h2-10,12,23H,11H2,1H3,(H,20,22,24)/t12-/m0/s1 | PDB
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Bielefeld
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against the catalytic domain of human matrix metalloprotease-14 |
J Med Chem 44: 3231-43 (2001)
BindingDB Entry DOI: 10.7270/Q2RN3758 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM92441
(RXP470, 1 | RXP470, Compound 4)Show SMILES NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)C(Cc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1)CP(O)(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C35H35BrClN4O10P/c36-24-8-10-27(11-9-24)52(49,50)19-23(34(47)40-29(13-15-32(44)45)35(48)39-28(33(38)46)12-14-31(42)43)17-26-18-30(41-51-26)21-6-4-20(5-7-21)22-2-1-3-25(37)16-22/h1-11,16,18,23,28-29H,12-15,17,19H2,(H2,38,46)(H,39,48)(H,40,47)(H,42,43)(H,44,45)(H,49,50)/t23?,28-,29+/m1/s1 | PDB
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| >100 | >-40.0 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
Commissariat á l'Energie Atomique
| Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS. |
J Biol Chem 287: 26647-56 (2012)
Article DOI: 10.1074/jbc.M112.380782
BindingDB Entry DOI: 10.7270/Q2H993SB |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50078930
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[(R)-...)Show SMILES NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)/t31?,35-,36?/m1/s1 | PDB
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| 105 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CEA
Curated by ChEMBL
| Assay Description
Binding affinity against matrix metalloprotease-14 MTI-MMP. |
J Med Chem 42: 2610-20 (1999)
Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50138684
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48) | PDB
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| 105 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Binding affinity to MMP14 |
J Med Chem 49: 51-69 (2006)
Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50393211
(CHEMBL2153737)Show SMILES NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C38H41N4O6P/c39-36(43)34(23-31-24-40-33-19-11-10-18-32(31)33)41-37(44)30(21-20-27-12-4-1-5-13-27)26-49(46,47)35(22-28-14-6-2-7-15-28)42-38(45)48-25-29-16-8-3-9-17-29/h1-19,24,30,34-35,40H,20-23,25-26H2,(H2,39,43)(H,41,44)(H,42,45)(H,46,47)/t30-,34+,35-/m1/s1 | PDB
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| 105 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wroclaw University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of MMP-14 |
J Med Chem 54: 5955-80 (2011)
Article DOI: 10.1021/jm200587f
BindingDB Entry DOI: 10.7270/Q2PV6MGF |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50138684
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48) | PDB
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| 105 | 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 Matrix metalloprotease-14 |
J Med Chem 47: 325-36 (2004)
Article DOI: 10.1021/jm0308491
BindingDB Entry DOI: 10.7270/Q27080V1 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50264809
(2-((4-phenoxyphenylsulfonyl)methyl)thiirane | CHEM...)Show InChI InChI=1S/C15H14O3S2/c16-20(17,11-14-10-19-14)15-8-6-13(7-9-15)18-12-4-2-1-3-5-12/h1-9,14H,10-11H2 | PDB
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| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP14 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry |
ACS Med Chem Lett 2: 177-181 (2011)
Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50264809
(2-((4-phenoxyphenylsulfonyl)methyl)thiirane | CHEM...)Show InChI InChI=1S/C15H14O3S2/c16-20(17,11-14-10-19-14)15-8-6-13(7-9-15)18-12-4-2-1-3-5-12/h1-9,14H,10-11H2 | PDB
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| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01855
BindingDB Entry DOI: 10.7270/Q2GB281X |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50104723
(2-Benzenesulfonylamino-N-[5-(4-chloro-phenyl)-6H-[...)Show SMILES CC(C)(NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1 |c:19,t:17| Show InChI InChI=1S/C19H19ClN4O3S2/c1-19(2,24-29(26,27)15-6-4-3-5-7-15)17(25)21-18-23-22-16(12-28-18)13-8-10-14(20)11-9-13/h3-11,24H,12H2,1-2H3,(H,21,23,25) | PDB
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| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Bielefeld
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against the ectodomain of the human matrix metalloproteinase-14 |
J Med Chem 44: 3231-43 (2001)
BindingDB Entry DOI: 10.7270/Q2RN3758 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14 [1-20,P8S]
(Homo sapiens (Human)) | BDBM120258
(US8691753, 95 bis)Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CC(O)=O)Cc1ccc(cc1)-c1cc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C31H33N3O9S/c32-29(41)23(10-12-26(35)36)33-31(43)24(11-13-27(37)38)34-30(42)21(16-28(39)40)14-18-6-8-20(9-7-18)25-15-22(17-44-25)19-4-2-1-3-5-19/h1-9,15,17,21,23-24H,10-14,16H2,(H2,32,41)(H,33,43)(H,34,42)(H,35,36)(H,37,38)(H,39,40)/t21-,23+,24+/m1/s1 | MMDB
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| 118 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Commissariat A l'Energie Atomique et Aux Energies Alternatives
US Patent
| Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ... |
US Patent US8691753 (2014)
BindingDB Entry DOI: 10.7270/Q28P5Z5Q |
More data for this
Ligand-Target Pair | |
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