BindingDB logo
myBDB logout

50 similar compounds to monomer 50102594

Compile data set for download or QSAR
Wt: 441.5
BDBM50031784
Wt: 449.5
BDBM50031789
Wt: 455.5
BDBM50031790
Wt: 393.4
BDBM50064340
Wt: 405.4
BDBM50064341
Wt: 525.6
BDBM50071257
Wt: 476.6
BDBM50071259
Wt: 419.5
BDBM50071260
Wt: 433.5
BDBM50071262
Wt: 419.5
BDBM50071263
Wt: 447.5
BDBM50071264
Wt: 495.6
BDBM50071265
Wt: 390.4
BDBM50071266
Wt: 509.6
BDBM50071267
Wt: 479.6
BDBM50071269
Displayed 1 to 15 (of 50 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 93 hits for monomerid = 50031784,50031789,50031790,50064340,50064341,50071257,50071259,50071260,50071262,50071263,50071264,50071265,50071266,50071267,50071269   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Collagenase


(Homo sapiens (Human))
BDBM50064340
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-[(R)-2-(4-met...)
Show SMILES CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO
Show InChI InChI=1S/C20H31N3O5/c1-12(2)10-16(13(3)18(24)23-27)19(25)22-17(20(26)21-4)11-14-6-8-15(28-5)9-7-14/h6-9,12-13,16-17,27H,10-11H2,1-5H3,(H,21,26)(H,22,25)(H,23,24)/t13-,16+,17+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.130n/an/an/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of MMP-9 (Matrix metalloproteinase-9)


J Med Chem 41: 1745-8 (1998)


Article DOI: 10.1021/jm970849z
BindingDB Entry DOI: 10.7270/Q2GB235N
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50031790
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C25H33N3O5/c1-26-25(31)22(17-19-11-5-2-6-12-19)27-24(30)20(18-23(29)28-32)13-7-4-10-16-33-21-14-8-3-9-15-21/h2-3,5-6,8-9,11-12,14-15,20,22,32H,4,7,10,13,16-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
0.310n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-9


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50064340
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-[(R)-2-(4-met...)
Show SMILES CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO
Show InChI InChI=1S/C20H31N3O5/c1-12(2)10-16(13(3)18(24)23-27)19(25)22-17(20(26)21-4)11-14-6-8-15(28-5)9-7-14/h6-9,12-13,16-17,27H,10-11H2,1-5H3,(H,21,26)(H,22,25)(H,23,24)/t13-,16+,17+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.870n/an/an/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of MMP-1 (Matrix metalloproteinase-1)


J Med Chem 41: 1745-8 (1998)


Article DOI: 10.1021/jm970849z
BindingDB Entry DOI: 10.7270/Q2GB235N
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50064340
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-[(R)-2-(4-met...)
Show SMILES CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO
Show InChI InChI=1S/C20H31N3O5/c1-12(2)10-16(13(3)18(24)23-27)19(25)22-17(20(26)21-4)11-14-6-8-15(28-5)9-7-14/h6-9,12-13,16-17,27H,10-11H2,1-5H3,(H,21,26)(H,22,25)(H,23,24)/t13-,16+,17+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
<1n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro inhibition of human MMP-1.


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50064340
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-[(R)-2-(4-met...)
Show SMILES CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO
Show InChI InChI=1S/C20H31N3O5/c1-12(2)10-16(13(3)18(24)23-27)19(25)22-17(20(26)21-4)11-14-6-8-15(28-5)9-7-14/h6-9,12-13,16-17,27H,10-11H2,1-5H3,(H,21,26)(H,22,25)(H,23,24)/t13-,16+,17+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
<1n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro inhibition of human MMP-9.


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50031784
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C24H31N3O5/c1-25-24(30)21(16-18-10-4-2-5-11-18)26-23(29)19(17-22(28)27-31)12-8-9-15-32-20-13-6-3-7-14-20/h2-7,10-11,13-14,19,21,31H,8-9,12,15-17H2,1H3,(H,25,30)(H,26,29)(H,27,28)/t19-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
1.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-9


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50064341
PNG
((6S,7R,10S)-7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[1...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C21H31N3O5/c1-13(2)11-17-16(20(26)24-28)5-4-10-29-15-8-6-14(7-9-15)12-18(21(27)22-3)23-19(17)25/h6-9,13,16-18,28H,4-5,10-12H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)/t16-,17+,18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.20n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro inhibition of human MMP-1.


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50064341
PNG
((6S,7R,10S)-7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[1...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C21H31N3O5/c1-13(2)11-17-16(20(26)24-28)5-4-10-29-15-8-6-14(7-9-15)12-18(21(27)22-3)23-19(17)25/h6-9,13,16-18,28H,4-5,10-12H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)/t16-,17+,18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.20n/an/an/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of MMP-1 (Matrix metalloproteinase-1)


J Med Chem 41: 1745-8 (1998)


Article DOI: 10.1021/jm970849z
BindingDB Entry DOI: 10.7270/Q2GB235N
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50064341
PNG
((6S,7R,10S)-7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[1...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C21H31N3O5/c1-13(2)11-17-16(20(26)24-28)5-4-10-29-15-8-6-14(7-9-15)12-18(21(27)22-3)23-19(17)25/h6-9,13,16-18,28H,4-5,10-12H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)/t16-,17+,18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.80n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro inhibition of human MMP-9.


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50064341
PNG
((6S,7R,10S)-7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[1...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C21H31N3O5/c1-13(2)11-17-16(20(26)24-28)5-4-10-29-15-8-6-14(7-9-15)12-18(21(27)22-3)23-19(17)25/h6-9,13,16-18,28H,4-5,10-12H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)/t16-,17+,18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.80n/an/an/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of MMP-9 (Matrix metalloproteinase-9)


J Med Chem 41: 1745-8 (1998)


Article DOI: 10.1021/jm970849z
BindingDB Entry DOI: 10.7270/Q2GB235N
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50064340
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-[(R)-2-(4-met...)
Show SMILES CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO
Show InChI InChI=1S/C20H31N3O5/c1-12(2)10-16(13(3)18(24)23-27)19(25)22-17(20(26)21-4)11-14-6-8-15(28-5)9-7-14/h6-9,12-13,16-17,27H,10-11H2,1-5H3,(H,21,26)(H,22,25)(H,23,24)/t13-,16+,17+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.90n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP-3.


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50064340
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-[(R)-2-(4-met...)
Show SMILES CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO
Show InChI InChI=1S/C20H31N3O5/c1-12(2)10-16(13(3)18(24)23-27)19(25)22-17(20(26)21-4)11-14-6-8-15(28-5)9-7-14/h6-9,12-13,16-17,27H,10-11H2,1-5H3,(H,21,26)(H,22,25)(H,23,24)/t13-,16+,17+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.93n/an/an/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of MMP-3 (Matrix metalloproteinase-3)


J Med Chem 41: 1745-8 (1998)


Article DOI: 10.1021/jm970849z
BindingDB Entry DOI: 10.7270/Q2GB235N
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50031784
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C24H31N3O5/c1-25-24(30)21(16-18-10-4-2-5-11-18)26-23(29)19(17-22(28)27-31)12-8-9-15-32-20-13-6-3-7-14-20/h2-7,10-11,13-14,19,21,31H,8-9,12,15-17H2,1H3,(H,25,30)(H,26,29)(H,27,28)/t19-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
<2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-8


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50031790
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C25H33N3O5/c1-26-25(31)22(17-19-11-5-2-6-12-19)27-24(30)20(18-23(29)28-32)13-7-4-10-16-33-21-14-8-3-9-15-21/h2-3,5-6,8-9,11-12,14-15,20,22,32H,4,7,10,13,16-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
<2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-8


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50031790
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C25H33N3O5/c1-26-25(31)22(17-19-11-5-2-6-12-19)27-24(30)20(18-23(29)28-32)13-7-4-10-16-33-21-14-8-3-9-15-21/h2-3,5-6,8-9,11-12,14-15,20,22,32H,4,7,10,13,16-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
<2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil collagenase, matrix metalloproteinase-8


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50031784
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C24H31N3O5/c1-25-24(30)21(16-18-10-4-2-5-11-18)26-23(29)19(17-22(28)27-31)12-8-9-15-32-20-13-6-3-7-14-20/h2-7,10-11,13-14,19,21,31H,8-9,12,15-17H2,1H3,(H,25,30)(H,26,29)(H,27,28)/t19-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
<2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil collagenase, matrix metalloproteinase-8


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50031784
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C24H31N3O5/c1-25-24(30)21(16-18-10-4-2-5-11-18)26-23(29)19(17-22(28)27-31)12-8-9-15-32-20-13-6-3-7-14-20/h2-7,10-11,13-14,19,21,31H,8-9,12,15-17H2,1H3,(H,25,30)(H,26,29)(H,27,28)/t19-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50031784
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C24H31N3O5/c1-25-24(30)21(16-18-10-4-2-5-11-18)26-23(29)19(17-22(28)27-31)12-8-9-15-32-20-13-6-3-7-14-20/h2-7,10-11,13-14,19,21,31H,8-9,12,15-17H2,1H3,(H,25,30)(H,26,29)(H,27,28)/t19-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50031784
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C24H31N3O5/c1-25-24(30)21(16-18-10-4-2-5-11-18)26-23(29)19(17-22(28)27-31)12-8-9-15-32-20-13-6-3-7-14-20/h2-7,10-11,13-14,19,21,31H,8-9,12,15-17H2,1H3,(H,25,30)(H,26,29)(H,27,28)/t19-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
8n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Inhibitory potency against human fibroblast collagenase, MMP-1


J Med Chem 38: 2570-81 (1995)


Article DOI: 10.1021/jm00014a010
BindingDB Entry DOI: 10.7270/Q2GM86B5
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50031789
PNG
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)
Show SMILES CCCc1ccc(OCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C)cc1
Show InChI InChI=1S/C24H39N3O5/c1-6-9-17-11-13-19(14-12-17)32-15-8-7-10-18(16-20(28)27-31)22(29)26-21(23(30)25-5)24(2,3)4/h11-14,18,21,31H,6-10,15-16H2,1-5H3,(H,25,30)(H,26,29)(H,27,28)/t18-,21-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
11n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Inhibitory potency against human stromelysin, MMP-3


J Med Chem 38: 2570-81 (1995)


Article DOI: 10.1021/jm00014a010
BindingDB Entry DOI: 10.7270/Q2GM86B5
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50031790
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C25H33N3O5/c1-26-25(31)22(17-19-11-5-2-6-12-19)27-24(30)20(18-23(29)28-32)13-7-4-10-16-33-21-14-8-3-9-15-21/h2-3,5-6,8-9,11-12,14-15,20,22,32H,4,7,10,13,16-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
14n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Inhibitory potency against human stromelysin, MMP-3


J Med Chem 38: 2570-81 (1995)


Article DOI: 10.1021/jm00014a010
BindingDB Entry DOI: 10.7270/Q2GM86B5
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50031790
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C25H33N3O5/c1-26-25(31)22(17-19-11-5-2-6-12-19)27-24(30)20(18-23(29)28-32)13-7-4-10-16-33-21-14-8-3-9-15-21/h2-3,5-6,8-9,11-12,14-15,20,22,32H,4,7,10,13,16-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50031790
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C25H33N3O5/c1-26-25(31)22(17-19-11-5-2-6-12-19)27-24(30)20(18-23(29)28-32)13-7-4-10-16-33-21-14-8-3-9-15-21/h2-3,5-6,8-9,11-12,14-15,20,22,32H,4,7,10,13,16-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
14n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP3


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 (2 and 3)


(Homo sapiens (Human))
BDBM50031790
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C25H33N3O5/c1-26-25(31)22(17-19-11-5-2-6-12-19)27-24(30)20(18-23(29)28-32)13-7-4-10-16-33-21-14-8-3-9-15-21/h2-3,5-6,8-9,11-12,14-15,20,22,32H,4,7,10,13,16-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50031790
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C25H33N3O5/c1-26-25(31)22(17-19-11-5-2-6-12-19)27-24(30)20(18-23(29)28-32)13-7-4-10-16-33-21-14-8-3-9-15-21/h2-3,5-6,8-9,11-12,14-15,20,22,32H,4,7,10,13,16-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
26n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50031790
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C25H33N3O5/c1-26-25(31)22(17-19-11-5-2-6-12-19)27-24(30)20(18-23(29)28-32)13-7-4-10-16-33-21-14-8-3-9-15-21/h2-3,5-6,8-9,11-12,14-15,20,22,32H,4,7,10,13,16-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
26n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50031790
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C25H33N3O5/c1-26-25(31)22(17-19-11-5-2-6-12-19)27-24(30)20(18-23(29)28-32)13-7-4-10-16-33-21-14-8-3-9-15-21/h2-3,5-6,8-9,11-12,14-15,20,22,32H,4,7,10,13,16-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
26n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Inhibitory potency against human fibroblast collagenase, MMP-1


J Med Chem 38: 2570-81 (1995)


Article DOI: 10.1021/jm00014a010
BindingDB Entry DOI: 10.7270/Q2GM86B5
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50031784
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C24H31N3O5/c1-25-24(30)21(16-18-10-4-2-5-11-18)26-23(29)19(17-22(28)27-31)12-8-9-15-32-20-13-6-3-7-14-20/h2-7,10-11,13-14,19,21,31H,8-9,12,15-17H2,1H3,(H,25,30)(H,26,29)(H,27,28)/t19-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
28n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP3


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
Stromelysin-1


(Homo sapiens (Human))
BDBM50031784
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C24H31N3O5/c1-25-24(30)21(16-18-10-4-2-5-11-18)26-23(29)19(17-22(28)27-31)12-8-9-15-32-20-13-6-3-7-14-20/h2-7,10-11,13-14,19,21,31H,8-9,12,15-17H2,1H3,(H,25,30)(H,26,29)(H,27,28)/t19-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
28n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Inhibitory potency against human stromelysin, MMP-3


J Med Chem 38: 2570-81 (1995)


Article DOI: 10.1021/jm00014a010
BindingDB Entry DOI: 10.7270/Q2GM86B5
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50031784
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C24H31N3O5/c1-25-24(30)21(16-18-10-4-2-5-11-18)26-23(29)19(17-22(28)27-31)12-8-9-15-32-20-13-6-3-7-14-20/h2-7,10-11,13-14,19,21,31H,8-9,12,15-17H2,1H3,(H,25,30)(H,26,29)(H,27,28)/t19-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
28n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50031784
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C24H31N3O5/c1-25-24(30)21(16-18-10-4-2-5-11-18)26-23(29)19(17-22(28)27-31)12-8-9-15-32-20-13-6-3-7-14-20/h2-7,10-11,13-14,19,21,31H,8-9,12,15-17H2,1H3,(H,25,30)(H,26,29)(H,27,28)/t19-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
28n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50064341
PNG
((6S,7R,10S)-7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[1...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C21H31N3O5/c1-13(2)11-17-16(20(26)24-28)5-4-10-29-15-8-6-14(7-9-15)12-18(21(27)22-3)23-19(17)25/h6-9,13,16-18,28H,4-5,10-12H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)/t16-,17+,18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
32.7n/an/an/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of MMP-3 (Matrix metalloproteinase-3)


J Med Chem 41: 1745-8 (1998)


Article DOI: 10.1021/jm970849z
BindingDB Entry DOI: 10.7270/Q2GB235N
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50064341
PNG
((6S,7R,10S)-7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[1...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C21H31N3O5/c1-13(2)11-17-16(20(26)24-28)5-4-10-29-15-8-6-14(7-9-15)12-18(21(27)22-3)23-19(17)25/h6-9,13,16-18,28H,4-5,10-12H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)/t16-,17+,18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
33n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP-3.


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Matrix metalloproteinase (2 and 3)


(Homo sapiens (Human))
BDBM50031784
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C24H31N3O5/c1-25-24(30)21(16-18-10-4-2-5-11-18)26-23(29)19(17-22(28)27-31)12-8-9-15-32-20-13-6-3-7-14-20/h2-7,10-11,13-14,19,21,31H,8-9,12,15-17H2,1H3,(H,25,30)(H,26,29)(H,27,28)/t19-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
<100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloprotease-3 (potent inhibitor)


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50031790
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C25H33N3O5/c1-26-25(31)22(17-19-11-5-2-6-12-19)27-24(30)20(18-23(29)28-32)13-7-4-10-16-33-21-14-8-3-9-15-21/h2-3,5-6,8-9,11-12,14-15,20,22,32H,4,7,10,13,16-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
<100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloprotease-3 (potent inhibitor)


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50031789
PNG
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)
Show SMILES CCCc1ccc(OCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C)cc1
Show InChI InChI=1S/C24H39N3O5/c1-6-9-17-11-13-19(14-12-17)32-15-8-7-10-18(16-20(28)27-31)22(29)26-21(23(30)25-5)24(2,3)4/h11-14,18,21,31H,6-10,15-16H2,1-5H3,(H,25,30)(H,26,29)(H,27,28)/t18-,21-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
170n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Inhibitory potency against human fibroblast collagenase, MMP-1


J Med Chem 38: 2570-81 (1995)


Article DOI: 10.1021/jm00014a010
BindingDB Entry DOI: 10.7270/Q2GM86B5
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50071263
PNG
((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C22H33N3O5/c1-14(2)12-18-17(21(27)25-29)6-4-5-11-30-16-9-7-15(8-10-16)13-19(22(28)23-3)24-20(18)26/h7-10,14,17-19,29H,4-6,11-13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)/t17-,18+,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Abbott Laboratory

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase 7


Bioorg Med Chem Lett 8: 3251-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00597-6
BindingDB Entry DOI: 10.7270/Q289152J
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50064340
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-[(R)-2-(4-met...)
Show SMILES CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO
Show InChI InChI=1S/C20H31N3O5/c1-12(2)10-16(13(3)18(24)23-27)19(25)22-17(20(26)21-4)11-14-6-8-15(28-5)9-7-14/h6-9,12-13,16-17,27H,10-11H2,1-5H3,(H,21,26)(H,22,25)(H,23,24)/t13-,16+,17+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of LPS-stimulated TNF-alpha release in human whole blood


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50071263
PNG
((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C22H33N3O5/c1-14(2)12-18-17(21(27)25-29)6-4-5-11-30-16-9-7-15(8-10-16)13-19(22(28)23-3)24-20(18)26/h7-10,14,17-19,29H,4-6,11-13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)/t17-,18+,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Abbott Laboratory

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase 1 isolated from the culture medium of human skin fibroblasts induced with PMA


Bioorg Med Chem Lett 8: 3251-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00597-6
BindingDB Entry DOI: 10.7270/Q289152J
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50071257
PNG
((7S,8R,11S)-8-(4-Benzyloxy-butyl)-9-oxo-2-oxa-10-a...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CCCCOCc3ccccc3)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C29H39N3O6/c1-30-29(35)26-19-21-13-15-23(16-14-21)38-18-8-6-12-25(28(34)32-36)24(27(33)31-26)11-5-7-17-37-20-22-9-3-2-4-10-22/h2-4,9-10,13-16,24-26,36H,5-8,11-12,17-20H2,1H3,(H,30,35)(H,31,33)(H,32,34)/t24-,25+,26+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast matrilysin (MMP-7)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50071260
PNG
((7R,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C22H33N3O5/c1-14(2)12-18-17(21(27)25-29)6-4-5-11-30-16-9-7-15(8-10-16)13-19(22(28)23-3)24-20(18)26/h7-10,14,17-19,29H,4-6,11-13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)/t17-,18-,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast collagenase (MMP-1)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50071262
PNG
((8S,9R,12S)-9-Isobutyl-10-oxo-2-oxa-11-aza-bicyclo...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C23H35N3O5/c1-15(2)13-19-18(22(28)26-30)7-5-4-6-12-31-17-10-8-16(9-11-17)14-20(23(29)24-3)25-21(19)27/h8-11,15,18-20,30H,4-7,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t18-,19+,20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast stromelysin (MMP-3)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50071259
PNG
((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)NCCN(C)C)cc2)C(=O)NO
Show InChI InChI=1S/C25H40N4O5/c1-17(2)15-21-20(24(31)28-33)7-5-6-14-34-19-10-8-18(9-11-19)16-22(27-23(21)30)25(32)26-12-13-29(3)4/h8-11,17,20-22,33H,5-7,12-16H2,1-4H3,(H,26,32)(H,27,30)(H,28,31)/t20-,21+,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast collagenase (MMP-1)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50071260
PNG
((7R,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C22H33N3O5/c1-14(2)12-18-17(21(27)25-29)6-4-5-11-30-16-9-7-15(8-10-16)13-19(22(28)23-3)24-20(18)26/h7-10,14,17-19,29H,4-6,11-13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)/t17-,18-,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 440n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast matrilysin (MMP-7)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50071263
PNG
((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C22H33N3O5/c1-14(2)12-18-17(21(27)25-29)6-4-5-11-30-16-9-7-15(8-10-16)13-19(22(28)23-3)24-20(18)26/h7-10,14,17-19,29H,4-6,11-13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)/t17-,18+,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast gelatinase A (MMP-2)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50071262
PNG
((8S,9R,12S)-9-Isobutyl-10-oxo-2-oxa-11-aza-bicyclo...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C23H35N3O5/c1-15(2)13-19-18(22(28)26-30)7-5-4-6-12-31-17-10-8-16(9-11-17)14-20(23(29)24-3)25-21(19)27/h8-11,15,18-20,30H,4-7,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t18-,19+,20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.10n/an/an/an/an/an/a



Abbott Laboratory

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase 7


Bioorg Med Chem Lett 8: 3251-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00597-6
BindingDB Entry DOI: 10.7270/Q289152J
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50071263
PNG
((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C22H33N3O5/c1-14(2)12-18-17(21(27)25-29)6-4-5-11-30-16-9-7-15(8-10-16)13-19(22(28)23-3)24-20(18)26/h7-10,14,17-19,29H,4-6,11-13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)/t17-,18+,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.60n/an/an/an/an/an/a



Abbott Laboratory

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase 2 isolated from human HT-1080 fibrosarcoma cells induced with TNF


Bioorg Med Chem Lett 8: 3251-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00597-6
BindingDB Entry DOI: 10.7270/Q289152J
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50071262
PNG
((8S,9R,12S)-9-Isobutyl-10-oxo-2-oxa-11-aza-bicyclo...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C23H35N3O5/c1-15(2)13-19-18(22(28)26-30)7-5-4-6-12-31-17-10-8-16(9-11-17)14-20(23(29)24-3)25-21(19)27/h8-11,15,18-20,30H,4-7,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t18-,19+,20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Abbott Laboratory

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase 1 isolated from the culture medium of human skin fibroblasts induced with PMA


Bioorg Med Chem Lett 8: 3251-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00597-6
BindingDB Entry DOI: 10.7270/Q289152J
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50071263
PNG
((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C22H33N3O5/c1-14(2)12-18-17(21(27)25-29)6-4-5-11-30-16-9-7-15(8-10-16)13-19(22(28)23-3)24-20(18)26/h7-10,14,17-19,29H,4-6,11-13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)/t17-,18+,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Abbott Laboratory

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase 3


Bioorg Med Chem Lett 8: 3251-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00597-6
BindingDB Entry DOI: 10.7270/Q289152J
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50071262
PNG
((8S,9R,12S)-9-Isobutyl-10-oxo-2-oxa-11-aza-bicyclo...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C23H35N3O5/c1-15(2)13-19-18(22(28)26-30)7-5-4-6-12-31-17-10-8-16(9-11-17)14-20(23(29)24-3)25-21(19)27/h8-11,15,18-20,30H,4-7,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t18-,19+,20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Abbott Laboratory

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase 2 isolated from human HT-1080 fibrosarcoma cells induced with TNF


Bioorg Med Chem Lett 8: 3251-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00597-6
BindingDB Entry DOI: 10.7270/Q289152J
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 93 total )  |  Next  |  Last  >>