Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50007906 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 |
|---|
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50069218
((2R,3R)-2,N*1*-Dihydroxy-3-isobutyl-N*4*-[(S)-2-(4...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C20H31N3O6/c1-12(2)10-15(20(3,27)19(26)23-28)17(24)22-16(18(25)21-4)11-13-6-8-14(29-5)9-7-13/h6-9,12,15-16,27-28H,10-11H2,1-5H3,(H,21,25)(H,22,24)(H,23,26)/t15-,16-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated against matrix metalloproteinase-1 |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50069221
((2R,3R)-N*4*-((S)-2,2-Dimethyl-1-methylcarbamoyl-p...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO)C(C)(C)C Show InChI InChI=1S/C21H33N3O5/c1-20(2,3)16(18(26)22-5)23-17(25)15(21(4,28)19(27)24-29)13-9-12-14-10-7-6-8-11-14/h6-8,10-11,15-16,28-29H,9,12-13H2,1-5H3,(H,22,26)(H,23,25)(H,24,27)/t15-,16+,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated against matrix metalloprotease-9 |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50069224
((2R,3R)-2,N*1*-Dihydroxy-N*4*-{(S)-1-[((R)-hydroxy...)Show SMILES C[C@@](O)([C@@H](CCCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](O)c1ccccc1)C(=O)NO Show InChI InChI=1S/C30H35N3O6/c1-30(38,29(37)33-39)24(19-11-16-21-12-5-2-6-13-21)27(35)31-25(20-22-14-7-3-8-15-22)28(36)32-26(34)23-17-9-4-10-18-23/h2-10,12-15,17-18,24-26,34,38-39H,11,16,19-20H2,1H3,(H,31,35)(H,32,36)(H,33,37)/t24-,25-,26+,30+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated against matrix metalloproteinase-9 |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50069213
((2R,3R)-N*4*-((S)-5-Amino-1-phenethylcarbamoyl-pen...)Show SMILES C[C@@](O)([C@@H](CCCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCCc1ccccc1)C(=O)NO Show InChI InChI=1S/C28H40N4O5/c1-28(36,27(35)32-37)23(16-10-15-21-11-4-2-5-12-21)25(33)31-24(17-8-9-19-29)26(34)30-20-18-22-13-6-3-7-14-22/h2-7,11-14,23-24,36-37H,8-10,15-20,29H2,1H3,(H,30,34)(H,31,33)(H,32,35)/t23-,24-,28+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated against matrix metalloproteinase-9 |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50069228
((2R,3R)-2,N*1*-Dihydroxy-N*4*-[(S)-2-(4-methoxy-ph...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C25H33N3O6/c1-25(32,24(31)28-33)20(11-7-10-17-8-5-4-6-9-17)22(29)27-21(23(30)26-2)16-18-12-14-19(34-3)15-13-18/h4-6,8-9,12-15,20-21,32-33H,7,10-11,16H2,1-3H3,(H,26,30)(H,27,29)(H,28,31)/t20-,21-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated against matrix metalloprotease-9 |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50069218
((2R,3R)-2,N*1*-Dihydroxy-3-isobutyl-N*4*-[(S)-2-(4...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C20H31N3O6/c1-12(2)10-15(20(3,27)19(26)23-28)17(24)22-16(18(25)21-4)11-13-6-8-14(29-5)9-7-13/h6-9,12,15-16,27-28H,10-11H2,1-5H3,(H,21,25)(H,22,24)(H,23,26)/t15-,16-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated against matrix metalloprotease-9 |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50069214
((2R,3R)-N*4*-((S)-5-Amino-1-methylcarbamoyl-pentyl...)Show SMILES CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C21H34N4O5/c1-21(29,20(28)25-30)16(12-8-11-15-9-4-3-5-10-15)18(26)24-17(19(27)23-2)13-6-7-14-22/h3-5,9-10,16-17,29-30H,6-8,11-14,22H2,1-2H3,(H,23,27)(H,24,26)(H,25,28)/t16-,17-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated against matrix metalloprotease-9 |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50069220
((2R,3R)-2,N*1*-Dihydroxy-N*4*-[(S)-2-(4-methoxy-ph...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCc1ccccc1)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C24H31N3O6/c1-24(31,23(30)27-32)19(14-11-16-7-5-4-6-8-16)21(28)26-20(22(29)25-2)15-17-9-12-18(33-3)13-10-17/h4-10,12-13,19-20,31-32H,11,14-15H2,1-3H3,(H,25,29)(H,26,28)(H,27,30)/t19-,20-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated against matrix metalloproteinase-9 |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50069217
((2R,3R)-2,N*1*-Dihydroxy-N*4*-((S)-4-dimethylamino...)Show SMILES CNC(=O)[C@H](CCCNS(=O)(=O)N(C)C)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C22H37N5O7S/c1-22(31,21(30)26-32)17(13-8-12-16-10-6-5-7-11-16)19(28)25-18(20(29)23-2)14-9-15-24-35(33,34)27(3)4/h5-7,10-11,17-18,24,31-32H,8-9,12-15H2,1-4H3,(H,23,29)(H,25,28)(H,26,30)/t17-,18-,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated against matrix metalloproteinase-9 |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50069226
(CHEMBL265216 | {(S)-4-[(R)-2-((R)-1-Hydroxy-1-hydr...)Show SMILES CNC(=O)[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C25H40N4O7/c1-24(2,3)36-23(33)27-16-10-15-19(21(31)26-5)28-20(30)18(25(4,34)22(32)29-35)14-9-13-17-11-7-6-8-12-17/h6-8,11-12,18-19,34-35H,9-10,13-16H2,1-5H3,(H,26,31)(H,27,33)(H,28,30)(H,29,32)/t18-,19-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated against matrix metalloproteinase-9 |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50069228
((2R,3R)-2,N*1*-Dihydroxy-N*4*-[(S)-2-(4-methoxy-ph...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C25H33N3O6/c1-25(32,24(31)28-33)20(11-7-10-17-8-5-4-6-9-17)22(29)27-21(23(30)26-2)16-18-12-14-19(34-3)15-13-18/h4-6,8-9,12-15,20-21,32-33H,7,10-11,16H2,1-3H3,(H,26,30)(H,27,29)(H,28,31)/t20-,21-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated against matrix metalloproteinase-1 |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50069228
((2R,3R)-2,N*1*-Dihydroxy-N*4*-[(S)-2-(4-methoxy-ph...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C25H33N3O6/c1-25(32,24(31)28-33)20(11-7-10-17-8-5-4-6-9-17)22(29)27-21(23(30)26-2)16-18-12-14-19(34-3)15-13-18/h4-6,8-9,12-15,20-21,32-33H,7,10-11,16H2,1-3H3,(H,26,30)(H,27,29)(H,28,31)/t20-,21-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity against human matrix metalloproteinase-3. |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50069216
((2R,3R)-2,N*1*-Dihydroxy-2-methyl-N*4*-{(S)-1-meth...)Show SMILES CNC(=O)[C@H](CCCNC(=O)N1CCOCC1)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C25H39N5O7/c1-25(35,23(33)29-36)19(11-6-10-18-8-4-3-5-9-18)21(31)28-20(22(32)26-2)12-7-13-27-24(34)30-14-16-37-17-15-30/h3-5,8-9,19-20,35-36H,6-7,10-17H2,1-2H3,(H,26,32)(H,27,34)(H,28,31)(H,29,33)/t19-,20-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated against matrix metalloproteinase-9 |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50069223
((2R,3R)-3-Benzyl-2,N*1*-dihydroxy-N*4*-[(S)-2-(4-m...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](Cc1ccccc1)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C23H29N3O6/c1-23(30,22(29)26-31)18(13-15-7-5-4-6-8-15)20(27)25-19(21(28)24-2)14-16-9-11-17(32-3)12-10-16/h4-12,18-19,30-31H,13-14H2,1-3H3,(H,24,28)(H,25,27)(H,26,29)/t18-,19-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated against matrix metalloproteinase-9 |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50069219
((2R,3R)-N*4*-((S)-4-Amino-1-methylcarbamoyl-butyl)...)Show SMILES CNC(=O)[C@H](CCCN)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C20H32N4O5/c1-20(28,19(27)24-29)15(11-6-10-14-8-4-3-5-9-14)17(25)23-16(12-7-13-21)18(26)22-2/h3-5,8-9,15-16,28-29H,6-7,10-13,21H2,1-2H3,(H,22,26)(H,23,25)(H,24,27)/t15-,16-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated against matrix metalloproteinase-9 |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50069224
((2R,3R)-2,N*1*-Dihydroxy-N*4*-{(S)-1-[((R)-hydroxy...)Show SMILES C[C@@](O)([C@@H](CCCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](O)c1ccccc1)C(=O)NO Show InChI InChI=1S/C30H35N3O6/c1-30(38,29(37)33-39)24(19-11-16-21-12-5-2-6-13-21)27(35)31-25(20-22-14-7-3-8-15-22)28(36)32-26(34)23-17-9-4-10-18-23/h2-10,12-15,17-18,24-26,34,38-39H,11,16,19-20H2,1H3,(H,31,35)(H,32,36)(H,33,37)/t24-,25-,26+,30+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity against human matrix metalloproteinase-3. |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50069218
((2R,3R)-2,N*1*-Dihydroxy-3-isobutyl-N*4*-[(S)-2-(4...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C20H31N3O6/c1-12(2)10-15(20(3,27)19(26)23-28)17(24)22-16(18(25)21-4)11-13-6-8-14(29-5)9-7-13/h6-9,12,15-16,27-28H,10-11H2,1-5H3,(H,21,25)(H,22,24)(H,23,26)/t15-,16-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity against human matrix metalloproteinase-3. |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50069221
((2R,3R)-N*4*-((S)-2,2-Dimethyl-1-methylcarbamoyl-p...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO)C(C)(C)C Show InChI InChI=1S/C21H33N3O5/c1-20(2,3)16(18(26)22-5)23-17(25)15(21(4,28)19(27)24-29)13-9-12-14-10-7-6-8-11-14/h6-8,10-11,15-16,28-29H,9,12-13H2,1-5H3,(H,22,26)(H,23,25)(H,24,27)/t15-,16+,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity against human matrix metalloproteinase-3. |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50069226
(CHEMBL265216 | {(S)-4-[(R)-2-((R)-1-Hydroxy-1-hydr...)Show SMILES CNC(=O)[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C25H40N4O7/c1-24(2,3)36-23(33)27-16-10-15-19(21(31)26-5)28-20(30)18(25(4,34)22(32)29-35)14-9-13-17-11-7-6-8-12-17/h6-8,11-12,18-19,34-35H,9-10,13-16H2,1-5H3,(H,26,31)(H,27,33)(H,28,30)(H,29,32)/t18-,19-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity against human matrix metalloproteinase-3. |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50069221
((2R,3R)-N*4*-((S)-2,2-Dimethyl-1-methylcarbamoyl-p...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO)C(C)(C)C Show InChI InChI=1S/C21H33N3O5/c1-20(2,3)16(18(26)22-5)23-17(25)15(21(4,28)19(27)24-29)13-9-12-14-10-7-6-8-11-14/h6-8,10-11,15-16,28-29H,9,12-13H2,1-5H3,(H,22,26)(H,23,25)(H,24,27)/t15-,16+,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated against matrix metalloproteinase-1 |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50069214
((2R,3R)-N*4*-((S)-5-Amino-1-methylcarbamoyl-pentyl...)Show SMILES CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C21H34N4O5/c1-21(29,20(28)25-30)16(12-8-11-15-9-4-3-5-10-15)18(26)24-17(19(27)23-2)13-6-7-14-22/h3-5,9-10,16-17,29-30H,6-8,11-14,22H2,1-2H3,(H,23,27)(H,24,26)(H,25,28)/t16-,17-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated against matrix metalloproteinase-1 |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50069226
(CHEMBL265216 | {(S)-4-[(R)-2-((R)-1-Hydroxy-1-hydr...)Show SMILES CNC(=O)[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C25H40N4O7/c1-24(2,3)36-23(33)27-16-10-15-19(21(31)26-5)28-20(30)18(25(4,34)22(32)29-35)14-9-13-17-11-7-6-8-12-17/h6-8,11-12,18-19,34-35H,9-10,13-16H2,1-5H3,(H,26,31)(H,27,33)(H,28,30)(H,29,32)/t18-,19-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated against matrix metalloproteinase-1 |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50069219
((2R,3R)-N*4*-((S)-4-Amino-1-methylcarbamoyl-butyl)...)Show SMILES CNC(=O)[C@H](CCCN)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C20H32N4O5/c1-20(28,19(27)24-29)15(11-6-10-14-8-4-3-5-9-14)17(25)23-16(12-7-13-21)18(26)22-2/h3-5,8-9,15-16,28-29H,6-7,10-13,21H2,1-2H3,(H,22,26)(H,23,25)(H,24,27)/t15-,16-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated against matrix metalloproteinase-1 |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50069217
((2R,3R)-2,N*1*-Dihydroxy-N*4*-((S)-4-dimethylamino...)Show SMILES CNC(=O)[C@H](CCCNS(=O)(=O)N(C)C)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C22H37N5O7S/c1-22(31,21(30)26-32)17(13-8-12-16-10-6-5-7-11-16)19(28)25-18(20(29)23-2)14-9-15-24-35(33,34)27(3)4/h5-7,10-11,17-18,24,31-32H,8-9,12-15H2,1-4H3,(H,23,29)(H,25,28)(H,26,30)/t17-,18-,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated against matrix metalloproteinase-1 |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50069217
((2R,3R)-2,N*1*-Dihydroxy-N*4*-((S)-4-dimethylamino...)Show SMILES CNC(=O)[C@H](CCCNS(=O)(=O)N(C)C)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C22H37N5O7S/c1-22(31,21(30)26-32)17(13-8-12-16-10-6-5-7-11-16)19(28)25-18(20(29)23-2)14-9-15-24-35(33,34)27(3)4/h5-7,10-11,17-18,24,31-32H,8-9,12-15H2,1-4H3,(H,23,29)(H,25,28)(H,26,30)/t17-,18-,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity against human matrix metalloproteinase-3. |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50069213
((2R,3R)-N*4*-((S)-5-Amino-1-phenethylcarbamoyl-pen...)Show SMILES C[C@@](O)([C@@H](CCCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCCc1ccccc1)C(=O)NO Show InChI InChI=1S/C28H40N4O5/c1-28(36,27(35)32-37)23(16-10-15-21-11-4-2-5-12-21)25(33)31-24(17-8-9-19-29)26(34)30-20-18-22-13-6-3-7-14-22/h2-7,11-14,23-24,36-37H,8-10,15-20,29H2,1H3,(H,30,34)(H,31,33)(H,32,35)/t23-,24-,28+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated against matrix metalloproteinase-1 |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50069220
((2R,3R)-2,N*1*-Dihydroxy-N*4*-[(S)-2-(4-methoxy-ph...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCc1ccccc1)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C24H31N3O6/c1-24(31,23(30)27-32)19(14-11-16-7-5-4-6-8-16)21(28)26-20(22(29)25-2)15-17-9-12-18(33-3)13-10-17/h4-10,12-13,19-20,31-32H,11,14-15H2,1-3H3,(H,25,29)(H,26,28)(H,27,30)/t19-,20-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity against human matrix metalloproteinase-3. |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50069227
((S)-2-[(R)-2-((R)-1-Hydroxy-1-hydroxycarbamoyl-eth...)Show SMILES C[C@@](O)([C@@H](CCCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)NO Show InChI InChI=1S/C23H28N2O6/c1-23(30,22(29)25-31)18(14-8-13-16-9-4-2-5-10-16)20(26)24-19(21(27)28)15-17-11-6-3-7-12-17/h2-7,9-12,18-19,30-31H,8,13-15H2,1H3,(H,24,26)(H,25,29)(H,27,28)/t18-,19-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity against human matrix metalloproteinase-3. |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50069213
((2R,3R)-N*4*-((S)-5-Amino-1-phenethylcarbamoyl-pen...)Show SMILES C[C@@](O)([C@@H](CCCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCCc1ccccc1)C(=O)NO Show InChI InChI=1S/C28H40N4O5/c1-28(36,27(35)32-37)23(16-10-15-21-11-4-2-5-12-21)25(33)31-24(17-8-9-19-29)26(34)30-20-18-22-13-6-3-7-14-22/h2-7,11-14,23-24,36-37H,8-10,15-20,29H2,1H3,(H,30,34)(H,31,33)(H,32,35)/t23-,24-,28+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity against human matrix metalloproteinase-3. |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50069214
((2R,3R)-N*4*-((S)-5-Amino-1-methylcarbamoyl-pentyl...)Show SMILES CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C21H34N4O5/c1-21(29,20(28)25-30)16(12-8-11-15-9-4-3-5-10-15)18(26)24-17(19(27)23-2)13-6-7-14-22/h3-5,9-10,16-17,29-30H,6-8,11-14,22H2,1-2H3,(H,23,27)(H,24,26)(H,25,28)/t16-,17-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity against human matrix metalloproteinase-3. |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50069220
((2R,3R)-2,N*1*-Dihydroxy-N*4*-[(S)-2-(4-methoxy-ph...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCc1ccccc1)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C24H31N3O6/c1-24(31,23(30)27-32)19(14-11-16-7-5-4-6-8-16)21(28)26-20(22(29)25-2)15-17-9-12-18(33-3)13-10-17/h4-10,12-13,19-20,31-32H,11,14-15H2,1-3H3,(H,25,29)(H,26,28)(H,27,30)/t19-,20-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated against matrix metalloproteinase-1 |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50069215
((S)-2-[(R)-2-((R)-1-Hydroxy-1-hydroxycarbamoyl-eth...)Show SMILES CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C27H36N2O6/c1-26(2,3)35-24(31)22(18-20-14-9-6-10-15-20)28-23(30)21(27(4,33)25(32)29-34)17-11-16-19-12-7-5-8-13-19/h5-10,12-15,21-22,33-34H,11,16-18H2,1-4H3,(H,28,30)(H,29,32)/t21-,22-,27+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated against matrix metalloproteinase-9 |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50069216
((2R,3R)-2,N*1*-Dihydroxy-2-methyl-N*4*-{(S)-1-meth...)Show SMILES CNC(=O)[C@H](CCCNC(=O)N1CCOCC1)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C25H39N5O7/c1-25(35,23(33)29-36)19(11-6-10-18-8-4-3-5-9-18)21(31)28-20(22(32)26-2)12-7-13-27-24(34)30-14-16-37-17-15-30/h3-5,8-9,19-20,35-36H,6-7,10-17H2,1-2H3,(H,26,32)(H,27,34)(H,28,31)(H,29,33)/t19-,20-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated against matrix metalloproteinase-1 |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50069216
((2R,3R)-2,N*1*-Dihydroxy-2-methyl-N*4*-{(S)-1-meth...)Show SMILES CNC(=O)[C@H](CCCNC(=O)N1CCOCC1)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C25H39N5O7/c1-25(35,23(33)29-36)19(11-6-10-18-8-4-3-5-9-18)21(31)28-20(22(32)26-2)12-7-13-27-24(34)30-14-16-37-17-15-30/h3-5,8-9,19-20,35-36H,6-7,10-17H2,1-2H3,(H,26,32)(H,27,34)(H,28,31)(H,29,33)/t19-,20-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity against human matrix metalloproteinase-3. |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50069224
((2R,3R)-2,N*1*-Dihydroxy-N*4*-{(S)-1-[((R)-hydroxy...)Show SMILES C[C@@](O)([C@@H](CCCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](O)c1ccccc1)C(=O)NO Show InChI InChI=1S/C30H35N3O6/c1-30(38,29(37)33-39)24(19-11-16-21-12-5-2-6-13-21)27(35)31-25(20-22-14-7-3-8-15-22)28(36)32-26(34)23-17-9-4-10-18-23/h2-10,12-15,17-18,24-26,34,38-39H,11,16,19-20H2,1H3,(H,31,35)(H,32,36)(H,33,37)/t24-,25-,26+,30+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated against matrix metalloproteinase-1 |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50069223
((2R,3R)-3-Benzyl-2,N*1*-dihydroxy-N*4*-[(S)-2-(4-m...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](Cc1ccccc1)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C23H29N3O6/c1-23(30,22(29)26-31)18(13-15-7-5-4-6-8-15)20(27)25-19(21(28)24-2)14-16-9-11-17(32-3)12-10-16/h4-12,18-19,30-31H,13-14H2,1-3H3,(H,24,28)(H,25,27)(H,26,29)/t18-,19-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated against matrix metalloproteinase-1 |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50069215
((S)-2-[(R)-2-((R)-1-Hydroxy-1-hydroxycarbamoyl-eth...)Show SMILES CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C27H36N2O6/c1-26(2,3)35-24(31)22(18-20-14-9-6-10-15-20)28-23(30)21(27(4,33)25(32)29-34)17-11-16-19-12-7-5-8-13-19/h5-10,12-15,21-22,33-34H,11,16-18H2,1-4H3,(H,28,30)(H,29,32)/t21-,22-,27+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity against human matrix metalloproteinase-3. |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50069219
((2R,3R)-N*4*-((S)-4-Amino-1-methylcarbamoyl-butyl)...)Show SMILES CNC(=O)[C@H](CCCN)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C20H32N4O5/c1-20(28,19(27)24-29)15(11-6-10-14-8-4-3-5-9-14)17(25)23-16(12-7-13-21)18(26)22-2/h3-5,8-9,15-16,28-29H,6-7,10-13,21H2,1-2H3,(H,22,26)(H,23,25)(H,24,27)/t15-,16-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 103 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity against human matrix metalloproteinase-3. |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50069225
((2R,3R)-N*4*-[(S)-5-Amino-1-((R)-1-phenyl-ethylcar...)Show SMILES C[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO)c1ccccc1 Show InChI InChI=1S/C28H40N4O5/c1-20(22-15-7-4-8-16-22)30-26(34)24(18-9-10-19-29)31-25(33)23(28(2,36)27(35)32-37)17-11-14-21-12-5-3-6-13-21/h3-8,12-13,15-16,20,23-24,36-37H,9-11,14,17-19,29H2,1-2H3,(H,30,34)(H,31,33)(H,32,35)/t20-,23+,24+,28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 149 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated against matrix metalloproteinase-9 |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50069227
((S)-2-[(R)-2-((R)-1-Hydroxy-1-hydroxycarbamoyl-eth...)Show SMILES C[C@@](O)([C@@H](CCCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)NO Show InChI InChI=1S/C23H28N2O6/c1-23(30,22(29)25-31)18(14-8-13-16-9-4-2-5-10-16)20(26)24-19(21(27)28)15-17-11-6-3-7-12-17/h2-7,9-12,18-19,30-31H,8,13-15H2,1H3,(H,24,26)(H,25,29)(H,27,28)/t18-,19-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 167 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated against matrix metalloproteinase-1 |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50069225
((2R,3R)-N*4*-[(S)-5-Amino-1-((R)-1-phenyl-ethylcar...)Show SMILES C[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO)c1ccccc1 Show InChI InChI=1S/C28H40N4O5/c1-20(22-15-7-4-8-16-22)30-26(34)24(18-9-10-19-29)31-25(33)23(28(2,36)27(35)32-37)17-11-14-21-12-5-3-6-13-21/h3-8,12-13,15-16,20,23-24,36-37H,9-11,14,17-19,29H2,1-2H3,(H,30,34)(H,31,33)(H,32,35)/t20-,23+,24+,28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 168 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity against human matrix metalloproteinase-3. |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50069215
((S)-2-[(R)-2-((R)-1-Hydroxy-1-hydroxycarbamoyl-eth...)Show SMILES CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C27H36N2O6/c1-26(2,3)35-24(31)22(18-20-14-9-6-10-15-20)28-23(30)21(27(4,33)25(32)29-34)17-11-16-19-12-7-5-8-13-19/h5-10,12-15,21-22,33-34H,11,16-18H2,1-4H3,(H,28,30)(H,29,32)/t21-,22-,27+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 198 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated against matrix metalloproteinase-1 |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50069227
((S)-2-[(R)-2-((R)-1-Hydroxy-1-hydroxycarbamoyl-eth...)Show SMILES C[C@@](O)([C@@H](CCCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)NO Show InChI InChI=1S/C23H28N2O6/c1-23(30,22(29)25-31)18(14-8-13-16-9-4-2-5-10-16)20(26)24-19(21(27)28)15-17-11-6-3-7-12-17/h2-7,9-12,18-19,30-31H,8,13-15H2,1H3,(H,24,26)(H,25,29)(H,27,28)/t18-,19-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >213 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated against matrix metalloproteinase-9 |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50069225
((2R,3R)-N*4*-[(S)-5-Amino-1-((R)-1-phenyl-ethylcar...)Show SMILES C[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO)c1ccccc1 Show InChI InChI=1S/C28H40N4O5/c1-20(22-15-7-4-8-16-22)30-26(34)24(18-9-10-19-29)31-25(33)23(28(2,36)27(35)32-37)17-11-14-21-12-5-3-6-13-21/h3-8,12-13,15-16,20,23-24,36-37H,9-11,14,17-19,29H2,1-2H3,(H,30,34)(H,31,33)(H,32,35)/t20-,23+,24+,28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 282 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated against matrix metalloproteinase-1 |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50069223
((2R,3R)-3-Benzyl-2,N*1*-dihydroxy-N*4*-[(S)-2-(4-m...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](Cc1ccccc1)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C23H29N3O6/c1-23(30,22(29)26-31)18(13-15-7-5-4-6-8-15)20(27)25-19(21(28)24-2)14-16-9-11-17(32-3)12-10-16/h4-12,18-19,30-31H,13-14H2,1-3H3,(H,24,28)(H,25,27)(H,26,29)/t18-,19-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 526 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity against human matrix metalloproteinase-3. |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50069229
((2S,3R)-2,N*1*-Dihydroxy-3-isobutyl-N*4*-[(S)-2-(4...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@](C)(O)C(=O)NO Show InChI InChI=1S/C20H31N3O6/c1-12(2)10-15(20(3,27)19(26)23-28)17(24)22-16(18(25)21-4)11-13-6-8-14(29-5)9-7-13/h6-9,12,15-16,27-28H,10-11H2,1-5H3,(H,21,25)(H,22,24)(H,23,26)/t15-,16-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity against human matrix metalloproteinase-3. |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50069230
((2S,3R)-3-Benzyl-2,N*1*-dihydroxy-N*4*-[(S)-2-(4-m...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](Cc1ccccc1)[C@](C)(O)C(=O)NO Show InChI InChI=1S/C23H29N3O6/c1-23(30,22(29)26-31)18(13-15-7-5-4-6-8-15)20(27)25-19(21(28)24-2)14-16-9-11-17(32-3)12-10-16/h4-12,18-19,30-31H,13-14H2,1-3H3,(H,24,28)(H,25,27)(H,26,29)/t18-,19-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity against human matrix metalloproteinase-3. |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50069222
((2S,3R)-2,N*1*-Dihydroxy-N*4*-[(S)-2-(4-methoxy-ph...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCc1ccccc1)[C@](C)(O)C(=O)NO Show InChI InChI=1S/C24H31N3O6/c1-24(31,23(30)27-32)19(14-11-16-7-5-4-6-8-16)21(28)26-20(22(29)25-2)15-17-9-12-18(33-3)13-10-17/h4-10,12-13,19-20,31-32H,11,14-15H2,1-3H3,(H,25,29)(H,26,28)(H,27,30)/t19-,20-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Binding affinity against human matrix metalloproteinase-3. |
Bioorg Med Chem Lett 8: 837-42 (1999)
BindingDB Entry DOI: 10.7270/Q29022WN |
More data for this
Ligand-Target Pair | |
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