Found 309 hits of ki data for polymerid = 6145 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 |
Macrophage metalloelastase
(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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.190 | -55.5 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
Commissariat à l'Energie Atomique
| Assay Description Enzyme assay using matrix metalloproteinases. |
J Biol Chem 285: 35900-9 (2010)
Article DOI: 10.1074/jbc.M110.139634 BindingDB Entry DOI: 10.7270/Q25X27HV |
More data for this Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50265078
((4S)-5-amino-4-((2S)-2-((2S)-3-((4-bromophenyl)(hy...)Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.190 | 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 MMP12 |
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) |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50592891
(CHEMBL5191016)Show SMILES NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](Cc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1)CP(O)(=O)c1ccc(Br)cc1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.190 | 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 | |
Macrophage metalloelastase
(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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.200 | -55.4 | 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 | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50265078
((4S)-5-amino-4-((2S)-2-((2S)-3-((4-bromophenyl)(hy...)Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | 6.8 | n/a |
CEA
Curated by ChEMBL
| Assay Description Inhibition of human MMP12 catalytic domain (98 to 266) at pH 6.8 by isothermal titration calorimetry |
J Med Chem 56: 1149-59 (2013)
Article DOI: 10.1021/jm301574d BindingDB Entry DOI: 10.7270/Q24F1S24 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50265078
((4S)-5-amino-4-((2S)-2-((2S)-3-((4-bromophenyl)(hy...)Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CEA
Curated by ChEMBL
| Assay Description Binding affinity to human MMP12 catalytic domain (98 to 266) by isothermal titration calorimetry |
J Med Chem 56: 1149-59 (2013)
Article DOI: 10.1021/jm301574d BindingDB Entry DOI: 10.7270/Q24F1S24 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50505154
(CHEMBL4581500)Show SMILES C[C@H](NC(=O)[C@H](Cc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1)CP(O)(=O)c1ccc(Br)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r| Show InChI InChI=1S/C33H33BrClN4O8P/c1-19(32(43)38-28(31(36)42)13-14-30(40)41)37-33(44)23(18-48(45,46)27-11-9-24(34)10-12-27)16-26-17-29(39-47-26)21-7-5-20(6-8-21)22-3-2-4-25(35)15-22/h2-12,15,17,19,23,28H,13-14,16,18H2,1H3,(H2,36,42)(H,37,44)(H,38,43)(H,40,41)(H,45,46)/t19-,23+,28-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wroc?aw University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human MMP12 |
Bioorg Med Chem Lett 29: 1031-1042 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DR2ZSK |
More data for this Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50426080
(CHEMBL2316257)Show SMILES C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1)CP(O)(=O)c1ccc(Br)cc1)C(N)=O |r| Show InChI InChI=1S/C31H31BrClN4O6P/c1-18(29(34)38)35-30(39)19(2)36-31(40)23(17-44(41,42)27-12-10-24(32)11-13-27)15-26-16-28(37-43-26)21-8-6-20(7-9-21)22-4-3-5-25(33)14-22/h3-14,16,18-19,23H,15,17H2,1-2H3,(H2,34,38)(H,35,39)(H,36,40)(H,41,42)/t18-,19-,23+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wroc?aw University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human MMP12 |
Bioorg Med Chem Lett 29: 1031-1042 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DR2ZSK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50426080
(CHEMBL2316257)Show SMILES C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1)CP(O)(=O)c1ccc(Br)cc1)C(N)=O |r| Show InChI InChI=1S/C31H31BrClN4O6P/c1-18(29(34)38)35-30(39)19(2)36-31(40)23(17-44(41,42)27-12-10-24(32)11-13-27)15-26-16-28(37-43-26)21-8-6-20(7-9-21)22-4-3-5-25(33)14-22/h3-14,16,18-19,23H,15,17H2,1-2H3,(H2,34,38)(H,35,39)(H,36,40)(H,41,42)/t18-,19-,23+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CEA
Curated by ChEMBL
| Assay Description Binding affinity to human MMP12 catalytic domain (98 to 266) by isothermal titration calorimetry |
J Med Chem 56: 1149-59 (2013)
Article DOI: 10.1021/jm301574d BindingDB Entry DOI: 10.7270/Q24F1S24 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Macrophage metalloelastase
(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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 0.300 | 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 | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50505152
(CHEMBL4435285)Show SMILES CC[N+]1=C(\C=C\C=C\C=C2\N(CCCCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc3cc(no3)-c3ccc(cc3)-c3cccc(Cl)c3)CP(O)(=O)c3ccc(Br)cc3)c3ccc4c(cc(cc4c3C2(C)C)S(O)(=O)=O)S(O)(=O)=O)C(C)(C)c2c1ccc1c(cc(cc21)S(O)(=O)=O)S([O-])(=O)=O |r,c:2| Show InChI InChI=1S/C84H96BrClN7O24PS4/c1-7-92-70-33-30-64-66(48-62(119(102,103)104)50-72(64)121(108,109)110)78(70)83(3,4)74(92)19-10-8-11-20-75-84(5,6)79-67-49-63(120(105,106)107)51-73(122(111,112)113)65(67)31-34-71(79)93(75)38-13-9-12-21-76(94)87-36-15-39-114-41-43-116-44-42-115-40-16-37-88-82(99)68(32-35-77(95)96)90-80(97)53(2)89-81(98)57(52-118(100,101)61-28-26-58(85)27-29-61)46-60-47-69(91-117-60)55-24-22-54(23-25-55)56-17-14-18-59(86)45-56/h8,10-11,14,17-20,22-31,33-34,45,47-51,53,57,68H,7,9,12-13,15-16,21,32,35-44,46,52H2,1-6H3,(H9-,87,88,89,90,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113)/t53-,57+,68-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wroc?aw University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human MMP12 |
Bioorg Med Chem Lett 29: 1031-1042 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DR2ZSK |
More data for this Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50555050
(CHEMBL4764575)Show SMILES CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant MMP12 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01514 BindingDB Entry DOI: 10.7270/Q2PC361P |
More data for this Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50434226
(CHEMBL2385483)Show SMILES COc1ccc(CCS(=O)(=O)N2CCC[C@H]2C(=O)NO)cc1 |r| Show InChI InChI=1S/C14H20N2O5S/c1-21-12-6-4-11(5-7-12)8-10-22(19,20)16-9-2-3-13(16)14(17)15-18/h4-7,13,18H,2-3,8-10H2,1H3,(H,15,17)/t13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of MMP12 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay |
ACS Med Chem Lett 4: 565-9 (2013)
Article DOI: 10.1021/ml300446a BindingDB Entry DOI: 10.7270/Q2B859HT |
More data for this Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50505151
(CHEMBL4520279)Show SMILES [3H]CC([3H])C(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CO)NC(=O)[C@H](CC)NC(=O)[C@H](Cc1cc(no1)-c1ccc(cc1)C1(N=N1)C(F)(F)F)CP(O)(=O)c1ccccc1 |r,c:51| Show InChI InChI=1S/C41H55F3N7O11P/c1-3-33(39(56)48-35(26-52)38(55)46-17-9-19-60-21-23-61-22-20-59-18-8-16-45-36(53)4-2)47-37(54)29(27-63(57,58)32-10-6-5-7-11-32)24-31-25-34(49-62-31)28-12-14-30(15-13-28)40(50-51-40)41(42,43)44/h5-7,10-15,25,29,33,35,52H,3-4,8-9,16-24,26-27H2,1-2H3,(H,45,53)(H,46,55)(H,47,54)(H,48,56)(H,57,58)/t29-,33+,35+/m1/s1/i2T,4T/t4?,29-,33+,35+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wroc?aw University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human MMP12 by photoaffinity probe based assay |
Bioorg Med Chem Lett 29: 1031-1042 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.034 BindingDB Entry DOI: 10.7270/Q2DR2ZSK |
More data for this Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM120222
(US8691753, 71)Show SMILES OC(=O)CC[C@H](NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)C(=O)Nc1cccc(CC(O)=O)c1 |r| Show InChI InChI=1S/C34H32N2O6/c37-31(36-30(18-20-32(38)39)34(42)35-29-8-4-5-24(21-29)22-33(40)41)19-11-23-9-12-26(13-10-23)28-16-14-27(15-17-28)25-6-2-1-3-7-25/h1-10,12-17,21,30H,11,18-20,22H2,(H,35,42)(H,36,37)(H,38,39)(H,40,41)/t30-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 1.05 | 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 | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50555052
(CHEMBL4751015)Show SMILES CC(C)C[C@@H]1[C@H](CCCOc2ccc(C[C@H](NC1=O)C(O)=O)cc2)C(=O)NO |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant MMP12 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01514 BindingDB Entry DOI: 10.7270/Q2PC361P |
More data for this Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50555051
(CHEMBL4739996)Show SMILES CC(C)C[C@@H]1[C@H](CCCOc2ccc(C[C@H](NC1=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2)C(=O)NO |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant MMP12 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01514 BindingDB Entry DOI: 10.7270/Q2PC361P |
More data for this Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM120212
(US8691753, 61 | US8691753, 72)Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C31H33N3O7/c32-30(40)25(15-18-28(36)37)34-31(41)26(16-19-29(38)39)33-27(35)17-8-20-6-9-22(10-7-20)24-13-11-23(12-14-24)21-4-2-1-3-5-21/h1-7,9-14,25-26H,8,15-19H2,(H2,32,40)(H,33,35)(H,34,41)(H,36,37)(H,38,39)/t25-,26-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 1.63 | 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 | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM120242
(US8691753, 91)Show SMILES Cc1ccc(s1)-c1ccc(CCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)cc1 |r| Show InChI InChI=1S/C24H29N3O7S/c1-14-2-10-19(35-14)16-6-3-15(4-7-16)5-11-20(28)26-18(9-13-22(31)32)24(34)27-17(23(25)33)8-12-21(29)30/h2-4,6-7,10,17-18H,5,8-9,11-13H2,1H3,(H2,25,33)(H,26,28)(H,27,34)(H,29,30)(H,31,32)/t17-,18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 1.84 | 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 | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM92443
(MMP Inhibitor, 3 | Thiophene derivative, compound ...)Show SMILES NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C29H31N3O7S/c30-28(38)22(11-14-26(34)35)32-29(39)23(12-15-27(36)37)31-25(33)13-8-18-6-9-20(10-7-18)24-16-21(17-40-24)19-4-2-1-3-5-19/h1-7,9-10,16-17,22-23H,8,11-15H2,(H2,30,38)(H,31,33)(H,32,39)(H,34,35)(H,36,37)/t22-,23+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1.90 | -49.8 | 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 | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM92443
(MMP Inhibitor, 3 | Thiophene derivative, compound ...)Show SMILES NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C29H31N3O7S/c30-28(38)22(11-14-26(34)35)32-29(39)23(12-15-27(36)37)31-25(33)13-8-18-6-9-20(10-7-18)24-16-21(17-40-24)19-4-2-1-3-5-19/h1-7,9-10,16-17,22-23H,8,11-15H2,(H2,30,38)(H,31,33)(H,32,39)(H,34,35)(H,36,37)/t22-,23+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1.92 | -49.8 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
Commissariat à l'Energie Atomique
| Assay Description Enzyme assay using matrix metalloproteinases. |
J Biol Chem 285: 35900-9 (2010)
Article DOI: 10.1074/jbc.M110.139634 BindingDB Entry DOI: 10.7270/Q25X27HV |
More data for this Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM120246
(US8691753, 95 | US8691753, 96)Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C29H31N3O7S/c30-28(38)22(11-14-26(34)35)32-29(39)23(12-15-27(36)37)31-25(33)13-8-18-6-9-20(10-7-18)24-16-21(17-40-24)19-4-2-1-3-5-19/h1-7,9-10,16-17,22-23H,8,11-15H2,(H2,30,38)(H,31,33)(H,32,39)(H,34,35)(H,36,37)/t22-,23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB US Patent
| 1.92 | 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 | 3D Structure (crystal) |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50294120
(2-(biphenyl-4-ylsulfonamido)-N-hydroxyacetamide | ...)Show InChI InChI=1S/C14H14N2O4S/c17-14(16-18)10-15-21(19,20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,15,18H,10H2,(H,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of MMP12 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay |
ACS Med Chem Lett 4: 565-9 (2013)
Article DOI: 10.1021/ml300446a BindingDB Entry DOI: 10.7270/Q2B859HT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50434222
(CHEMBL2385487)Show SMILES ONC(=O)[C@H]1CCCN1S(=O)(=O)CCc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C19H22N2O4S/c22-19(20-23)18-7-4-13-21(18)26(24,25)14-12-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,8-11,18,23H,4,7,12-14H2,(H,20,22)/t18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of MMP12 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay |
ACS Med Chem Lett 4: 565-9 (2013)
Article DOI: 10.1021/ml300446a BindingDB Entry DOI: 10.7270/Q2B859HT |
More data for this Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM120191
(US8691753, 39)Show SMILES CC[C@H](NC(=O)CCc1ccc(cc1)-c1nc2ccccc2s1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r| Show InChI InChI=1S/C25H28N4O5S/c1-2-17(24(34)28-19(23(26)33)12-14-22(31)32)27-21(30)13-9-15-7-10-16(11-8-15)25-29-18-5-3-4-6-20(18)35-25/h3-8,10-11,17,19H,2,9,12-14H2,1H3,(H2,26,33)(H,27,30)(H,28,34)(H,31,32)/t17-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 2.20 | 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 | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM120217
(US8691753, 66)Show SMILES C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C29H31N3O5/c1-19(28(30)36)31-29(37)25(16-18-27(34)35)32-26(33)17-9-20-7-10-22(11-8-20)24-14-12-23(13-15-24)21-5-3-2-4-6-21/h2-8,10-15,19,25H,9,16-18H2,1H3,(H2,30,36)(H,31,37)(H,32,33)(H,34,35)/t19-,25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 2.20 | 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 | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM92446
(Inhibitor, 16)Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1)-c1cc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C22H20N2O4S/c23-21(27)18(10-11-20(25)26)24-22(28)16-8-6-15(7-9-16)19-12-17(13-29-19)14-4-2-1-3-5-14/h1-9,12-13,18H,10-11H2,(H2,23,27)(H,24,28)(H,25,26)/t18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| 2.5 | -49.1 | 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 | 3D Structure (crystal) |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM120252
(US8691753, 101)Show SMILES NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C28H29N3O7S/c29-27(37)22(15-26(35)36)31-28(38)21(11-13-25(33)34)30-24(32)12-8-17-6-9-19(10-7-17)23-14-20(16-39-23)18-4-2-1-3-5-18/h1-7,9-10,14,16,21-22H,8,11-13,15H2,(H2,29,37)(H,30,32)(H,31,38)(H,33,34)(H,35,36)/t21-,22-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 2.56 | 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 | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM120243
(US8691753, 92)Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(s1)-c1ccccc1 |r| Show InChI InChI=1S/C29H31N3O7S/c30-28(38)21(11-16-26(34)35)32-29(39)22(12-17-27(36)37)31-25(33)15-8-18-6-9-20(10-7-18)24-14-13-23(40-24)19-4-2-1-3-5-19/h1-7,9-10,13-14,21-22H,8,11-12,15-17H2,(H2,30,38)(H,31,33)(H,32,39)(H,34,35)(H,36,37)/t21-,22-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 2.58 | 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 | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM120254
(US8691753, 103)Show SMILES NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C30H33N3O7S/c31-29(39)23(7-4-8-27(35)36)33-30(40)24(14-16-28(37)38)32-26(34)15-11-19-9-12-21(13-10-19)25-17-22(18-41-25)20-5-2-1-3-6-20/h1-3,5-6,9-10,12-13,17-18,23-24H,4,7-8,11,14-16H2,(H2,31,39)(H,32,34)(H,33,40)(H,35,36)(H,37,38)/t23-,24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 2.90 | 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 | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM92449
(Inhibitor, 19)Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(s1)-c1ccccc1 |r| Show InChI InChI=1S/C24H24N2O4S/c25-24(30)19(11-15-23(28)29)26-22(27)14-8-16-6-9-18(10-7-16)21-13-12-20(31-21)17-4-2-1-3-5-17/h1-7,9-10,12-13,19H,8,11,14-15H2,(H2,25,30)(H,26,27)(H,28,29)/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 2.90 | -48.7 | 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 | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM92447
(Inhibitor, 17)Show SMILES Cc1ccc(s1)-c1ccc(CCC(=O)N[C@@H](CCC(O)=O)C(N)=O)cc1 |r| Show InChI InChI=1S/C19H22N2O4S/c1-12-2-9-16(26-12)14-6-3-13(4-7-14)5-10-17(22)21-15(19(20)25)8-11-18(23)24/h2-4,6-7,9,15H,5,8,10-11H2,1H3,(H2,20,25)(H,21,22)(H,23,24)/t15-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 3.30 | -48.4 | 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 | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM120215
(US8691753, 64)Show SMILES NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C30H31N3O7/c31-29(39)25(18-28(37)38)33-30(40)24(15-17-27(35)36)32-26(34)16-8-19-6-9-21(10-7-19)23-13-11-22(12-14-23)20-4-2-1-3-5-20/h1-7,9-14,24-25H,8,15-18H2,(H2,31,39)(H,32,34)(H,33,40)(H,35,36)(H,37,38)/t24-,25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 3.30 | 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 | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM92448
(Inhibitor, 18)Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C26H26N2O4/c27-26(32)23(15-17-25(30)31)28-24(29)16-8-18-6-9-20(10-7-18)22-13-11-21(12-14-22)19-4-2-1-3-5-19/h1-7,9-14,23H,8,15-17H2,(H2,27,32)(H,28,29)(H,30,31)/t23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 3.30 | -48.4 | 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 | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM120168
(US8691753, 16)Show SMILES CC[C@H](NC(=O)CCc1cc(no1)-c1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r| Show InChI InChI=1S/C27H30N4O6/c1-2-21(27(36)30-22(26(28)35)13-15-25(33)34)29-24(32)14-12-20-16-23(31-37-20)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,16,21-22H,2,12-15H2,1H3,(H2,28,35)(H,29,32)(H,30,36)(H,33,34)/t21-,22-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 3.40 | 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 | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM120219
(US8691753, 68)Show SMILES NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C29H31N3O6/c30-28(37)25(18-33)32-29(38)24(15-17-27(35)36)31-26(34)16-8-19-6-9-21(10-7-19)23-13-11-22(12-14-23)20-4-2-1-3-5-20/h1-7,9-14,24-25,33H,8,15-18H2,(H2,30,37)(H,31,34)(H,32,38)(H,35,36)/t24-,25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 3.5 | 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 | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM92445
(Inhibitor, 10 | US8691753, 105)Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C24H24N2O4S/c25-24(30)20(11-13-23(28)29)26-22(27)12-8-16-6-9-18(10-7-16)21-14-19(15-31-21)17-4-2-1-3-5-17/h1-7,9-10,14-15,20H,8,11-13H2,(H2,25,30)(H,26,27)(H,28,29)/t20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| Article PubMed
| 3.60 | -48.2 | 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 | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM92445
(Inhibitor, 10 | US8691753, 105)Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C24H24N2O4S/c25-24(30)20(11-13-23(28)29)26-22(27)12-8-16-6-9-18(10-7-16)21-14-19(15-31-21)17-4-2-1-3-5-17/h1-7,9-10,14-15,20H,8,11-13H2,(H2,25,30)(H,26,27)(H,28,29)/t20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
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| US Patent
| 3.65 | 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 | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM92443
(MMP Inhibitor, 3 | Thiophene derivative, compound ...)Show SMILES NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C29H31N3O7S/c30-28(38)22(11-14-26(34)35)32-29(39)23(12-15-27(36)37)31-25(33)13-8-18-6-9-20(10-7-18)24-16-21(17-40-24)19-4-2-1-3-5-19/h1-7,9-10,16-17,22-23H,8,11-15H2,(H2,30,38)(H,31,33)(H,32,39)(H,34,35)(H,36,37)/t22-,23+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 3.70 | 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 | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM120256
(US8691753, 106)Show SMILES OC(=O)CC[C@H](NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1)C(=O)Nc1cccc(CC(O)=O)c1 |r| Show InChI InChI=1S/C32H30N2O6S/c35-29(34-27(14-16-30(36)37)32(40)33-26-8-4-5-22(17-26)18-31(38)39)15-11-21-9-12-24(13-10-21)28-19-25(20-41-28)23-6-2-1-3-7-23/h1-10,12-13,17,19-20,27H,11,14-16,18H2,(H,33,40)(H,34,35)(H,36,37)(H,38,39)/t27-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 4.30 | 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 | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM13080
(CGS 27023A Analog 3 | N-hydroxy-2-[(4-methoxybenze...)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ProtEra s.r.l.
Curated by ChEMBL
| Assay Description Inhibition of MMP12 by fluorimetric assay |
Eur J Med Chem 45: 5919-25 (2010)
Article DOI: 10.1016/j.ejmech.2010.09.057 BindingDB Entry DOI: 10.7270/Q29G5N2W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM120221
(US8691753, 70)Show SMILES OC(=O)CC[C@H](NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)C(=O)N1CCCC(CC(O)=O)C1 |r| Show InChI InChI=1S/C33H36N2O6/c36-30(34-29(17-19-31(37)38)33(41)35-20-4-5-24(22-35)21-32(39)40)18-10-23-8-11-26(12-9-23)28-15-13-27(14-16-28)25-6-2-1-3-7-25/h1-3,6-9,11-16,24,29H,4-5,10,17-22H2,(H,34,36)(H,37,38)(H,39,40)/t24?,29-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 4.70 | 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 | |
Macrophage metalloelastase
(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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | 4.80 | 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 | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50434224
(CHEMBL2385485)Show SMILES ONC(=O)[C@H]1CCCN1S(=O)(=O)CCc1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C19H22N2O5S/c22-19(20-23)18-7-4-13-21(18)27(24,25)14-12-15-8-10-17(11-9-15)26-16-5-2-1-3-6-16/h1-3,5-6,8-11,18,23H,4,7,12-14H2,(H,20,22)/t18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia 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 |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of MMP12 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay |
ACS Med Chem Lett 4: 565-9 (2013)
Article DOI: 10.1021/ml300446a BindingDB Entry DOI: 10.7270/Q2B859HT |
More data for this Ligand-Target Pair | |
Macrophage metalloelastase
(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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5 | 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 | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50434213
(CHEMBL2385489)Show SMILES ONC(=O)[C@@H]1CCCN1S(=O)(=O)CCc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C14H18N2O6S/c17-14(15-18)11-2-1-6-16(11)23(19,20)7-5-10-3-4-12-13(8-10)22-9-21-12/h3-4,8,11,18H,1-2,5-7,9H2,(H,15,17)/t11-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia 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 |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of MMP12 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay |
ACS Med Chem Lett 4: 565-9 (2013)
Article DOI: 10.1021/ml300446a BindingDB Entry DOI: 10.7270/Q2B859HT |
More data for this Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM120213
(US8691753, 62)Show SMILES NC(=O)CC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C31H34N4O6/c32-27(36)17-15-25(30(33)40)35-31(41)26(16-19-29(38)39)34-28(37)18-8-20-6-9-22(10-7-20)24-13-11-23(12-14-24)21-4-2-1-3-5-21/h1-7,9-14,25-26H,8,15-19H2,(H2,32,36)(H2,33,40)(H,34,37)(H,35,41)(H,38,39)/t25-,26-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 5.20 | 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 | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM120173
(US8691753, 21)Show SMILES NC(=O)CC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1cc(no1)-c1ccc(cc1)-c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C28H31N5O7/c29-24(34)13-11-21(27(30)38)32-28(39)22(12-15-26(36)37)31-25(35)14-10-20-16-23(33-40-20)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-9,16,21-22H,10-15H2,(H2,29,34)(H2,30,38)(H,31,35)(H,32,39)(H,36,37)/t21-,22-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 5.40 | 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 | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM120250
(US8691753, 99)Show SMILES NC(=O)CC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C29H32N4O6S/c30-25(34)13-11-22(28(31)38)33-29(39)23(12-15-27(36)37)32-26(35)14-8-18-6-9-20(10-7-18)24-16-21(17-40-24)19-4-2-1-3-5-19/h1-7,9-10,16-17,22-23H,8,11-15H2,(H2,30,34)(H2,31,38)(H,32,35)(H,33,39)(H,36,37)/t22-,23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 5.40 | 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 | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50332949
((R)-N,3-dihydroxy-2-(4-methoxyphenylsulfonamido)pr...)Show InChI InChI=1S/C10H14N2O6S/c1-18-7-2-4-8(5-3-7)19(16,17)12-9(6-13)10(14)11-15/h2-5,9,12-13,15H,6H2,1H3,(H,11,14)/t9-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid UniChem
Similars
| MMDB Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ProtEra s.r.l.
Curated by ChEMBL
| Assay Description Inhibition of MMP12 by fluorimetric assay |
Eur J Med Chem 45: 5919-25 (2010)
Article DOI: 10.1016/j.ejmech.2010.09.057 BindingDB Entry DOI: 10.7270/Q29G5N2W |
More data for this Ligand-Target Pair | |