BindingDB logo
myBDB logout

PubMed code 9873712

Compile data set for download or QSAR
Found 109 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50072583
PNG
((2R,3S)-2,N*1*-Dihydroxy-N*4*-[(S)-1-(1H-indole-3-...)
Show SMILES CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C(=O)c1c[nH]c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C22H31N3O5/c1-12(2)10-14(18(27)21(29)25-30)20(28)24-19(22(3,4)5)17(26)15-11-23-16-9-7-6-8-13(15)16/h6-9,11-12,14,18-19,23,27,30H,10H2,1-5H3,(H,24,28)(H,25,29)/t14-,18+,19-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.260n/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))
BDBM50072583
PNG
((2R,3S)-2,N*1*-Dihydroxy-N*4*-[(S)-1-(1H-indole-3-...)
Show SMILES CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C(=O)c1c[nH]c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C22H31N3O5/c1-12(2)10-14(18(27)21(29)25-30)20(28)24-19(22(3,4)5)17(26)15-11-23-16-9-7-6-8-13(15)16/h6-9,11-12,14,18-19,23,27,30H,10H2,1-5H3,(H,24,28)(H,25,29)/t14-,18+,19-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.300n/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))
BDBM50072583
PNG
((2R,3S)-2,N*1*-Dihydroxy-N*4*-[(S)-1-(1H-indole-3-...)
Show SMILES CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C(=O)c1c[nH]c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C22H31N3O5/c1-12(2)10-14(18(27)21(29)25-30)20(28)24-19(22(3,4)5)17(26)15-11-23-16-9-7-6-8-13(15)16/h6-9,11-12,14,18-19,23,27,30H,10H2,1-5H3,(H,24,28)(H,25,29)/t14-,18+,19-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.380n/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
Collagenase


(homo sapiens (human))
BDBM50072564
PNG
((2R,3S)-N*4*-[(S)-1-Benzyl-2-(1H-indol-3-yl)-2-oxo...)
Show SMILES CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C25H29N3O5/c1-15(2)12-18(23(30)25(32)28-33)24(31)27-21(13-16-8-4-3-5-9-16)22(29)19-14-26-20-11-7-6-10-17(19)20/h3-11,14-15,18,21,23,26,30,33H,12-13H2,1-2H3,(H,27,31)(H,28,32)/t18-,21+,23+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.600n/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
Stromelysin-1


(Homo sapiens (human))
BDBM50063918
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO
Show InChI InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.75n/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
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50072563
PNG
((2R,3S)-2-Allyl-N*1*-hydroxy-N*4*-[(S)-1-(1H-indol...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@H](C(=O)c1c[nH]c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C25H35N3O4/c1-7-10-17(24(31)28-32)18(13-15(2)3)23(30)27-22(25(4,5)6)21(29)19-14-26-20-12-9-8-11-16(19)20/h7-9,11-12,14-15,17-18,22,26,32H,1,10,13H2,2-6H3,(H,27,30)(H,28,31)/t17-,18+,22+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.780n/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))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.850n/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
Collagenase


(homo sapiens (human))
BDBM50072575
PNG
((R)-N*1*-[(S)-1-Benzyl-2-(1H-indol-3-yl)-2-oxo-eth...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C25H29N3O4/c1-16(2)12-18(14-23(29)28-32)25(31)27-22(13-17-8-4-3-5-9-17)24(30)20-15-26-21-11-7-6-10-19(20)21/h3-11,15-16,18,22,26,32H,12-14H2,1-2H3,(H,27,31)(H,28,29)/t18-,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/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
Collagenase


(homo sapiens (human))
BDBM50072582
PNG
((2R,3S)-2-Allyl-N*4*-[(S)-1-benzyl-2-oxo-2-(1H-pyr...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1ccc[nH]1
Show InChI InChI=1S/C24H31N3O4/c1-4-9-18(24(30)27-31)19(14-16(2)3)23(29)26-21(15-17-10-6-5-7-11-17)22(28)20-12-8-13-25-20/h4-8,10-13,16,18-19,21,25,31H,1,9,14-15H2,2-3H3,(H,26,29)(H,27,30)/t18-,19+,21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.10n/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-7 (MMP7)


(Homo sapiens (Human))
BDBM50072564
PNG
((2R,3S)-N*4*-[(S)-1-Benzyl-2-(1H-indol-3-yl)-2-oxo...)
Show SMILES CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C25H29N3O5/c1-15(2)12-18(23(30)25(32)28-33)24(31)27-21(13-16-8-4-3-5-9-16)22(29)19-14-26-20-11-7-6-10-17(19)20/h3-11,14-15,18,21,23,26,30,33H,12-13H2,1-2H3,(H,27,31)(H,28,32)/t18-,21+,23+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.10n/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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50072566
PNG
((2R,3S)-2-Allyl-N*4*-[(S)-1-benzyl-2-(1H-indol-3-y...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C28H33N3O4/c1-4-10-21(28(34)31-35)22(15-18(2)3)27(33)30-25(16-19-11-6-5-7-12-19)26(32)23-17-29-24-14-9-8-13-20(23)24/h4-9,11-14,17-18,21-22,25,29,35H,1,10,15-16H2,2-3H3,(H,30,33)(H,31,34)/t21-,22+,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.10n/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
Collagenase


(homo sapiens (human))
BDBM50072566
PNG
((2R,3S)-2-Allyl-N*4*-[(S)-1-benzyl-2-(1H-indol-3-y...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C28H33N3O4/c1-4-10-21(28(34)31-35)22(15-18(2)3)27(33)30-25(16-19-11-6-5-7-12-19)26(32)23-17-29-24-14-9-8-13-20(23)24/h4-9,11-14,17-18,21-22,25,29,35H,1,10,15-16H2,2-3H3,(H,30,33)(H,31,34)/t21-,22+,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.10n/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))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
Article
PubMed
n/an/a 1.10n/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))
BDBM50072563
PNG
((2R,3S)-2-Allyl-N*1*-hydroxy-N*4*-[(S)-1-(1H-indol...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@H](C(=O)c1c[nH]c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C25H35N3O4/c1-7-10-17(24(31)28-32)18(13-15(2)3)23(30)27-22(25(4,5)6)21(29)19-14-26-20-12-9-8-11-16(19)20/h7-9,11-12,14-15,17-18,22,26,32H,1,10,13H2,2-6H3,(H,27,30)(H,28,31)/t17-,18+,22+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.20n/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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50072563
PNG
((2R,3S)-2-Allyl-N*1*-hydroxy-N*4*-[(S)-1-(1H-indol...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@H](C(=O)c1c[nH]c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C25H35N3O4/c1-7-10-17(24(31)28-32)18(13-15(2)3)23(30)27-22(25(4,5)6)21(29)19-14-26-20-12-9-8-11-16(19)20/h7-9,11-12,14-15,17-18,22,26,32H,1,10,13H2,2-6H3,(H,27,30)(H,28,31)/t17-,18+,22+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.20n/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))
BDBM50072582
PNG
((2R,3S)-2-Allyl-N*4*-[(S)-1-benzyl-2-oxo-2-(1H-pyr...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1ccc[nH]1
Show InChI InChI=1S/C24H31N3O4/c1-4-9-18(24(30)27-31)19(14-16(2)3)23(29)26-21(15-17-10-6-5-7-11-17)22(28)20-12-8-13-25-20/h4-8,10-13,16,18-19,21,25,31H,1,9,14-15H2,2-3H3,(H,26,29)(H,27,30)/t18-,19+,21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.20n/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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50063918
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO
Show InChI InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.20n/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))
BDBM50072583
PNG
((2R,3S)-2,N*1*-Dihydroxy-N*4*-[(S)-1-(1H-indole-3-...)
Show SMILES CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C(=O)c1c[nH]c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C22H31N3O5/c1-12(2)10-14(18(27)21(29)25-30)20(28)24-19(22(3,4)5)17(26)15-11-23-16-9-7-6-8-13(15)16/h6-9,11-12,14,18-19,23,27,30H,10H2,1-5H3,(H,24,28)(H,25,29)/t14-,18+,19-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.20n/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
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50072572
PNG
((7S,8R,11S)-11-(4-Hydroxymethyl-benzoyl)-8-isobuty...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)c1ccc(CO)cc1)cc2)C(=O)NO
Show InChI InChI=1S/C28H36N2O6/c1-18(2)15-24-23(28(34)30-35)5-3-4-14-36-22-12-8-19(9-13-22)16-25(29-27(24)33)26(32)21-10-6-20(17-31)7-11-21/h6-13,18,23-25,31,35H,3-5,14-17H2,1-2H3,(H,29,33)(H,30,34)/t23-,24+,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.5n/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))
BDBM50072563
PNG
((2R,3S)-2-Allyl-N*1*-hydroxy-N*4*-[(S)-1-(1H-indol...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@H](C(=O)c1c[nH]c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C25H35N3O4/c1-7-10-17(24(31)28-32)18(13-15(2)3)23(30)27-22(25(4,5)6)21(29)19-14-26-20-12-9-8-11-16(19)20/h7-9,11-12,14-15,17-18,22,26,32H,1,10,13H2,2-6H3,(H,27,30)(H,28,31)/t17-,18+,22+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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 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-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
AffyNet 
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
Stromelysin-1


(Homo sapiens (human))
BDBM50072582
PNG
((2R,3S)-2-Allyl-N*4*-[(S)-1-benzyl-2-oxo-2-(1H-pyr...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1ccc[nH]1
Show InChI InChI=1S/C24H31N3O4/c1-4-9-18(24(30)27-31)19(14-16(2)3)23(29)26-21(15-17-10-6-5-7-11-17)22(28)20-12-8-13-25-20/h4-8,10-13,16,18-19,21,25,31H,1,9,14-15H2,2-3H3,(H,26,29)(H,27,30)/t18-,19+,21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.70n/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
Stromelysin-1


(Homo sapiens (human))
BDBM50072569
PNG
((2R,3S)-2-Allyl-N*4*-((S)-1-benzyl-2-oxazol-2-yl-2...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1ncco1
Show InChI InChI=1S/C23H29N3O5/c1-4-8-17(22(29)26-30)18(13-15(2)3)21(28)25-19(14-16-9-6-5-7-10-16)20(27)23-24-11-12-31-23/h4-7,9-12,15,17-19,30H,1,8,13-14H2,2-3H3,(H,25,28)(H,26,29)/t17-,18+,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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 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))
BDBM50070453
PNG
((2R,3S)-2-Allyl-N*1*-hydroxy-3-isobutyl-N*4*-((S)-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CC=C)C(=O)NO
Show InChI InChI=1S/C21H31N3O4/c1-5-9-16(20(26)24-28)17(12-14(2)3)19(25)23-18(21(27)22-4)13-15-10-7-6-8-11-15/h5-8,10-11,14,16-18,28H,1,9,12-13H2,2-4H3,(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
AffyNet 
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 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))
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
AffyNet 
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-1 (MMP1)


(homo sapiens (human))
BDBM50072574
PNG
((7S,8R,11S)-8-Isobutyl-9-oxo-11-(1H-pyrrole-2-carb...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)c1ccc[nH]1)cc2)C(=O)NO
Show InChI InChI=1S/C25H33N3O5/c1-16(2)14-20-19(25(31)28-32)6-3-4-13-33-18-10-8-17(9-11-18)15-22(27-24(20)30)23(29)21-7-5-12-26-21/h5,7-12,16,19-20,22,26,32H,3-4,6,13-15H2,1-2H3,(H,27,30)(H,28,31)/t19-,20+,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90n/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-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
AffyNet 
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
Collagenase


(homo sapiens (human))
BDBM50063918
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO
Show InChI InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


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 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-7 (MMP7)


(Homo sapiens (Human))
BDBM50072579
PNG
((8S,9R,12S)-12-Benzoyl-9-isobutyl-10-oxo-2-oxa-11-...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCCOc2ccc(C[C@H](NC1=O)C(=O)c1ccccc1)cc2)C(=O)NO
Show InChI InChI=1S/C28H36N2O5/c1-19(2)17-24-23(28(33)30-34)11-7-4-8-16-35-22-14-12-20(13-15-22)18-25(29-27(24)32)26(31)21-9-5-3-6-10-21/h3,5-6,9-10,12-15,19,23-25,34H,4,7-8,11,16-18H2,1-2H3,(H,29,32)(H,30,33)/t23-,24+,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20n/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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50070453
PNG
((2R,3S)-2-Allyl-N*1*-hydroxy-3-isobutyl-N*4*-((S)-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CC=C)C(=O)NO
Show InChI InChI=1S/C21H31N3O4/c1-5-9-16(20(26)24-28)17(12-14(2)3)19(25)23-18(21(27)22-4)13-15-10-7-6-8-11-15/h5-8,10-11,14,16-18,28H,1,9,12-13H2,2-4H3,(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
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.20n/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))
BDBM50072566
PNG
((2R,3S)-2-Allyl-N*4*-[(S)-1-benzyl-2-(1H-indol-3-y...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C28H33N3O4/c1-4-10-21(28(34)31-35)22(15-18(2)3)27(33)30-25(16-19-11-6-5-7-12-19)26(32)23-17-29-24-14-9-8-13-20(23)24/h4-9,11-14,17-18,21-22,25,29,35H,1,10,15-16H2,2-3H3,(H,30,33)(H,31,34)/t21-,22+,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.20n/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
Stromelysin-1


(Homo sapiens (human))
BDBM50072566
PNG
((2R,3S)-2-Allyl-N*4*-[(S)-1-benzyl-2-(1H-indol-3-y...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C28H33N3O4/c1-4-10-21(28(34)31-35)22(15-18(2)3)27(33)30-25(16-19-11-6-5-7-12-19)26(32)23-17-29-24-14-9-8-13-20(23)24/h4-9,11-14,17-18,21-22,25,29,35H,1,10,15-16H2,2-3H3,(H,30,33)(H,31,34)/t21-,22+,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


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 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
AffyNet 
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
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50063918
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO
Show InChI InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.40n/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
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
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60n/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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50072582
PNG
((2R,3S)-2-Allyl-N*4*-[(S)-1-benzyl-2-oxo-2-(1H-pyr...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1ccc[nH]1
Show InChI InChI=1S/C24H31N3O4/c1-4-9-18(24(30)27-31)19(14-16(2)3)23(29)26-21(15-17-10-6-5-7-11-17)22(28)20-12-8-13-25-20/h4-8,10-13,16,18-19,21,25,31H,1,9,14-15H2,2-3H3,(H,26,29)(H,27,30)/t18-,19+,21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.60n/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
Collagenase


(homo sapiens (human))
BDBM50072580
PNG
((2R,3S)-2-Allyl-N*4*-[(S)-1-benzyl-2-oxo-2-(1H-pyr...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1cc[nH]c1
Show InChI InChI=1S/C24H31N3O4/c1-4-8-19(24(30)27-31)20(13-16(2)3)23(29)26-21(14-17-9-6-5-7-10-17)22(28)18-11-12-25-15-18/h4-7,9-12,15-16,19-21,25,31H,1,8,13-14H2,2-3H3,(H,26,29)(H,27,30)/t19-,20+,21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70n/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))
BDBM50072569
PNG
((2R,3S)-2-Allyl-N*4*-((S)-1-benzyl-2-oxazol-2-yl-2...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1ncco1
Show InChI InChI=1S/C23H29N3O5/c1-4-8-17(22(29)26-30)18(13-15(2)3)21(28)25-19(14-16-9-6-5-7-10-16)20(27)23-24-11-12-31-23/h4-7,9-12,15,17-19,30H,1,8,13-14H2,2-3H3,(H,25,28)(H,26,29)/t17-,18+,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70n/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))
BDBM50072579
PNG
((8S,9R,12S)-12-Benzoyl-9-isobutyl-10-oxo-2-oxa-11-...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCCOc2ccc(C[C@H](NC1=O)C(=O)c1ccccc1)cc2)C(=O)NO
Show InChI InChI=1S/C28H36N2O5/c1-19(2)17-24-23(28(33)30-34)11-7-4-8-16-35-22-14-12-20(13-15-22)18-25(29-27(24)32)26(31)21-9-5-3-6-10-21/h3,5-6,9-10,12-15,19,23-25,34H,4,7-8,11,16-18H2,1-2H3,(H,29,32)(H,30,33)/t23-,24+,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70n/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
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50072568
PNG
((8S,9R,12S)-12-(1H-Indole-3-carbonyl)-9-isobutyl-1...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCCOc2ccc(C[C@H](NC1=O)C(=O)c1c[nH]c3ccccc13)cc2)C(=O)NO
Show InChI InChI=1S/C30H37N3O5/c1-19(2)16-24-23(30(36)33-37)9-4-3-7-15-38-21-13-11-20(12-14-21)17-27(32-29(24)35)28(34)25-18-31-26-10-6-5-8-22(25)26/h5-6,8,10-14,18-19,23-24,27,31,37H,3-4,7,9,15-17H2,1-2H3,(H,32,35)(H,33,36)/t23-,24+,27-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.10n/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
Stromelysin-1


(Homo sapiens (human))
BDBM50072571
PNG
((2R,3S)-2-Allyl-N*4*-((S)-1-benzyl-2-oxo-2-thiophe...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1cccs1
Show InChI InChI=1S/C24H30N2O4S/c1-4-9-18(24(29)26-30)19(14-16(2)3)23(28)25-20(15-17-10-6-5-7-11-17)22(27)21-12-8-13-31-21/h4-8,10-13,16,18-20,30H,1,9,14-15H2,2-3H3,(H,25,28)(H,26,29)/t18-,19+,20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20n/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
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50072567
PNG
((7S,8R,11S)-11-Benzoyl-8-isobutyl-9-oxo-2-oxa-10-a...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)c1ccccc1)cc2)C(=O)NO
Show InChI InChI=1S/C27H34N2O5/c1-18(2)16-23-22(27(32)29-33)10-6-7-15-34-21-13-11-19(12-14-21)17-24(28-26(23)31)25(30)20-8-4-3-5-9-20/h3-5,8-9,11-14,18,22-24,33H,6-7,10,15-17H2,1-2H3,(H,28,31)(H,29,32)/t22-,23+,24-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.30n/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
Stromelysin-1


(Homo sapiens (human))
BDBM50072572
PNG
((7S,8R,11S)-11-(4-Hydroxymethyl-benzoyl)-8-isobuty...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)c1ccc(CO)cc1)cc2)C(=O)NO
Show InChI InChI=1S/C28H36N2O6/c1-18(2)15-24-23(28(34)30-35)5-3-4-14-36-22-12-8-19(9-13-22)16-25(29-27(24)33)26(32)21-10-6-20(17-31)7-11-21/h6-13,18,23-25,31,35H,3-5,14-17H2,1-2H3,(H,29,33)(H,30,34)/t23-,24+,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.40n/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))
BDBM50072578
PNG
((2R,3S)-2-Allyl-N*4*-((S)-1-benzyl-2-oxo-2-phenyl-...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H32N2O4/c1-4-11-21(26(31)28-32)22(16-18(2)3)25(30)27-23(17-19-12-7-5-8-13-19)24(29)20-14-9-6-10-15-20/h4-10,12-15,18,21-23,32H,1,11,16-17H2,2-3H3,(H,27,30)(H,28,31)/t21-,22+,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.40n/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-7 (MMP7)


(Homo sapiens (Human))
BDBM50072578
PNG
((2R,3S)-2-Allyl-N*4*-((S)-1-benzyl-2-oxo-2-phenyl-...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H32N2O4/c1-4-11-21(26(31)28-32)22(16-18(2)3)25(30)27-23(17-19-12-7-5-8-13-19)24(29)20-14-9-6-10-15-20/h4-10,12-15,18,21-23,32H,1,11,16-17H2,2-3H3,(H,27,30)(H,28,31)/t21-,22+,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.60n/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
Collagenase


(homo sapiens (human))
BDBM50072579
PNG
((8S,9R,12S)-12-Benzoyl-9-isobutyl-10-oxo-2-oxa-11-...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCCOc2ccc(C[C@H](NC1=O)C(=O)c1ccccc1)cc2)C(=O)NO
Show InChI InChI=1S/C28H36N2O5/c1-19(2)17-24-23(28(33)30-34)11-7-4-8-16-35-22-14-12-20(13-15-22)18-25(29-27(24)32)26(31)21-9-5-3-6-10-21/h3,5-6,9-10,12-15,19,23-25,34H,4,7-8,11,16-18H2,1-2H3,(H,29,32)(H,30,33)/t23-,24+,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.90n/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
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
AffyNet 
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
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50072574
PNG
((7S,8R,11S)-8-Isobutyl-9-oxo-11-(1H-pyrrole-2-carb...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)c1ccc[nH]1)cc2)C(=O)NO
Show InChI InChI=1S/C25H33N3O5/c1-16(2)14-20-19(25(31)28-32)6-3-4-13-33-18-10-8-17(9-11-18)15-22(27-24(20)30)23(29)21-7-5-12-26-21/h5,7-12,16,19-20,22,26,32H,3-4,6,13-15H2,1-2H3,(H,27,30)(H,28,31)/t19-,20+,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.20n/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
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50072569
PNG
((2R,3S)-2-Allyl-N*4*-((S)-1-benzyl-2-oxazol-2-yl-2...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1ncco1
Show InChI InChI=1S/C23H29N3O5/c1-4-8-17(22(29)26-30)18(13-15(2)3)21(28)25-19(14-16-9-6-5-7-10-16)20(27)23-24-11-12-31-23/h4-7,9-12,15,17-19,30H,1,8,13-14H2,2-3H3,(H,25,28)(H,26,29)/t17-,18+,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.20n/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
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50072575
PNG
((R)-N*1*-[(S)-1-Benzyl-2-(1H-indol-3-yl)-2-oxo-eth...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C25H29N3O4/c1-16(2)12-18(14-23(29)28-32)25(31)27-22(13-17-8-4-3-5-9-17)24(30)20-15-26-21-11-7-6-10-19(20)21/h3-11,15-16,18,22,26,32H,12-14H2,1-2H3,(H,27,31)(H,28,29)/t18-,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.30n/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
Stromelysin-1


(Homo sapiens (human))
BDBM50072578
PNG
((2R,3S)-2-Allyl-N*4*-((S)-1-benzyl-2-oxo-2-phenyl-...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H32N2O4/c1-4-11-21(26(31)28-32)22(16-18(2)3)25(30)27-23(17-19-12-7-5-8-13-19)24(29)20-14-9-6-10-15-20/h4-10,12-15,18,21-23,32H,1,11,16-17H2,2-3H3,(H,27,30)(H,28,31)/t21-,22+,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.5n/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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50072581
PNG
((2R,3S)-2-Allyl-N*4*-[(S)-1-benzyl-2-(1-methyl-1H-...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1cn(C)c2ccccc12
Show InChI InChI=1S/C29H35N3O4/c1-5-11-22(29(35)31-36)23(16-19(2)3)28(34)30-25(17-20-12-7-6-8-13-20)27(33)24-18-32(4)26-15-10-9-14-21(24)26/h5-10,12-15,18-19,22-23,25,36H,1,11,16-17H2,2-4H3,(H,30,34)(H,31,35)/t22-,23+,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.70n/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-1 (MMP1)


(homo sapiens (human))
BDBM50072568
PNG
((8S,9R,12S)-12-(1H-Indole-3-carbonyl)-9-isobutyl-1...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCCOc2ccc(C[C@H](NC1=O)C(=O)c1c[nH]c3ccccc13)cc2)C(=O)NO
Show InChI InChI=1S/C30H37N3O5/c1-19(2)16-24-23(30(36)33-37)9-4-3-7-15-38-21-13-11-20(12-14-21)17-27(32-29(24)35)28(34)25-18-31-26-10-6-5-8-22(25)26/h5-6,8,10-14,18-19,23-24,27,31,37H,3-4,7,9,15-17H2,1-2H3,(H,32,35)(H,33,36)/t23-,24+,27-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.80n/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-1 (MMP1)


(homo sapiens (human))
BDBM50072564
PNG
((2R,3S)-N*4*-[(S)-1-Benzyl-2-(1H-indol-3-yl)-2-oxo...)
Show SMILES CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C25H29N3O5/c1-15(2)12-18(23(30)25(32)28-33)24(31)27-21(13-16-8-4-3-5-9-16)22(29)19-14-26-20-11-7-6-10-17(19)20/h3-11,14-15,18,21,23,26,30,33H,12-13H2,1-2H3,(H,27,31)(H,28,32)/t18-,21+,23+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5n/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-1 (MMP1)


(homo sapiens (human))
BDBM50072572
PNG
((7S,8R,11S)-11-(4-Hydroxymethyl-benzoyl)-8-isobuty...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)c1ccc(CO)cc1)cc2)C(=O)NO
Show InChI InChI=1S/C28H36N2O6/c1-18(2)15-24-23(28(34)30-35)5-3-4-14-36-22-12-8-19(9-13-22)16-25(29-27(24)33)26(32)21-10-6-20(17-31)7-11-21/h6-13,18,23-25,31,35H,3-5,14-17H2,1-2H3,(H,29,33)(H,30,34)/t23-,24+,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5n/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))
BDBM50072568
PNG
((8S,9R,12S)-12-(1H-Indole-3-carbonyl)-9-isobutyl-1...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCCOc2ccc(C[C@H](NC1=O)C(=O)c1c[nH]c3ccccc13)cc2)C(=O)NO
Show InChI InChI=1S/C30H37N3O5/c1-19(2)16-24-23(30(36)33-37)9-4-3-7-15-38-21-13-11-20(12-14-21)17-27(32-29(24)35)28(34)25-18-31-26-10-6-5-8-22(25)26/h5-6,8,10-14,18-19,23-24,27,31,37H,3-4,7,9,15-17H2,1-2H3,(H,32,35)(H,33,36)/t23-,24+,27-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.10n/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))
BDBM50072572
PNG
((7S,8R,11S)-11-(4-Hydroxymethyl-benzoyl)-8-isobuty...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)c1ccc(CO)cc1)cc2)C(=O)NO
Show InChI InChI=1S/C28H36N2O6/c1-18(2)15-24-23(28(34)30-35)5-3-4-14-36-22-12-8-19(9-13-22)16-25(29-27(24)33)26(32)21-10-6-20(17-31)7-11-21/h6-13,18,23-25,31,35H,3-5,14-17H2,1-2H3,(H,29,33)(H,30,34)/t23-,24+,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.10n/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))
BDBM50072575
PNG
((R)-N*1*-[(S)-1-Benzyl-2-(1H-indol-3-yl)-2-oxo-eth...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C25H29N3O4/c1-16(2)12-18(14-23(29)28-32)25(31)27-22(13-17-8-4-3-5-9-17)24(30)20-15-26-21-11-7-6-10-19(20)21/h3-11,15-16,18,22,26,32H,12-14H2,1-2H3,(H,27,31)(H,28,29)/t18-,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.10n/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
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
AffyNet 
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
Stromelysin-1


(Homo sapiens (human))
BDBM50072575
PNG
((R)-N*1*-[(S)-1-Benzyl-2-(1H-indol-3-yl)-2-oxo-eth...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C25H29N3O4/c1-16(2)12-18(14-23(29)28-32)25(31)27-22(13-17-8-4-3-5-9-17)24(30)20-15-26-21-11-7-6-10-19(20)21/h3-11,15-16,18,22,26,32H,12-14H2,1-2H3,(H,27,31)(H,28,29)/t18-,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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 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
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50072576
PNG
((7S,8R,11S)-8-Isobutyl-11-(4-methanesulfonyl-benzo...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)c1ccc(cc1)S(C)(=O)=O)cc2)C(=O)NO
Show InChI InChI=1S/C28H36N2O7S/c1-18(2)16-24-23(28(33)30-34)6-4-5-15-37-21-11-7-19(8-12-21)17-25(29-27(24)32)26(31)20-9-13-22(14-10-20)38(3,35)36/h7-14,18,23-25,34H,4-6,15-17H2,1-3H3,(H,29,32)(H,30,33)/t23-,24+,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.70n/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))
BDBM50072568
PNG
((8S,9R,12S)-12-(1H-Indole-3-carbonyl)-9-isobutyl-1...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCCOc2ccc(C[C@H](NC1=O)C(=O)c1c[nH]c3ccccc13)cc2)C(=O)NO
Show InChI InChI=1S/C30H37N3O5/c1-19(2)16-24-23(30(36)33-37)9-4-3-7-15-38-21-13-11-20(12-14-21)17-27(32-29(24)35)28(34)25-18-31-26-10-6-5-8-22(25)26/h5-6,8,10-14,18-19,23-24,27,31,37H,3-4,7,9,15-17H2,1-2H3,(H,32,35)(H,33,36)/t23-,24+,27-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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 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-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
AffyNet 
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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50072580
PNG
((2R,3S)-2-Allyl-N*4*-[(S)-1-benzyl-2-oxo-2-(1H-pyr...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1cc[nH]c1
Show InChI InChI=1S/C24H31N3O4/c1-4-8-19(24(30)27-31)20(13-16(2)3)23(29)26-21(14-17-9-6-5-7-10-17)22(28)18-11-12-25-15-18/h4-7,9-12,15-16,19-21,25,31H,1,8,13-14H2,2-3H3,(H,26,29)(H,27,30)/t19-,20+,21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.20n/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
Collagenase


(homo sapiens (human))
BDBM50072571
PNG
((2R,3S)-2-Allyl-N*4*-((S)-1-benzyl-2-oxo-2-thiophe...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1cccs1
Show InChI InChI=1S/C24H30N2O4S/c1-4-9-18(24(29)26-30)19(14-16(2)3)23(28)25-20(15-17-10-6-5-7-11-17)22(27)21-12-8-13-31-21/h4-8,10-13,16,18-20,30H,1,9,14-15H2,2-3H3,(H,25,28)(H,26,29)/t18-,19+,20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.5n/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
Stromelysin-1


(Homo sapiens (human))
BDBM50072580
PNG
((2R,3S)-2-Allyl-N*4*-[(S)-1-benzyl-2-oxo-2-(1H-pyr...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1cc[nH]c1
Show InChI InChI=1S/C24H31N3O4/c1-4-8-19(24(30)27-31)20(13-16(2)3)23(29)26-21(14-17-9-6-5-7-10-17)22(28)18-11-12-25-15-18/h4-7,9-12,15-16,19-21,25,31H,1,8,13-14H2,2-3H3,(H,26,29)(H,27,30)/t19-,20+,21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.60n/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
Stromelysin-1


(Homo sapiens (human))
BDBM50072574
PNG
((7S,8R,11S)-8-Isobutyl-9-oxo-11-(1H-pyrrole-2-carb...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)c1ccc[nH]1)cc2)C(=O)NO
Show InChI InChI=1S/C25H33N3O5/c1-16(2)14-20-19(25(31)28-32)6-3-4-13-33-18-10-8-17(9-11-18)15-22(27-24(20)30)23(29)21-7-5-12-26-21/h5,7-12,16,19-20,22,26,32H,3-4,6,13-15H2,1-2H3,(H,27,30)(H,28,31)/t19-,20+,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.20n/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))
BDBM50072574
PNG
((7S,8R,11S)-8-Isobutyl-9-oxo-11-(1H-pyrrole-2-carb...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)c1ccc[nH]1)cc2)C(=O)NO
Show InChI InChI=1S/C25H33N3O5/c1-16(2)14-20-19(25(31)28-32)6-3-4-13-33-18-10-8-17(9-11-18)15-22(27-24(20)30)23(29)21-7-5-12-26-21/h5,7-12,16,19-20,22,26,32H,3-4,6,13-15H2,1-2H3,(H,27,30)(H,28,31)/t19-,20+,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.20n/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
Collagenase


(homo sapiens (human))
BDBM50072569
PNG
((2R,3S)-2-Allyl-N*4*-((S)-1-benzyl-2-oxazol-2-yl-2...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1ncco1
Show InChI InChI=1S/C23H29N3O5/c1-4-8-17(22(29)26-30)18(13-15(2)3)21(28)25-19(14-16-9-6-5-7-10-16)20(27)23-24-11-12-31-23/h4-7,9-12,15,17-19,30H,1,8,13-14H2,2-3H3,(H,25,28)(H,26,29)/t17-,18+,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.20n/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
Stromelysin-1


(Homo sapiens (human))
BDBM50072564
PNG
((2R,3S)-N*4*-[(S)-1-Benzyl-2-(1H-indol-3-yl)-2-oxo...)
Show SMILES CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C25H29N3O5/c1-15(2)12-18(23(30)25(32)28-33)24(31)27-21(13-16-8-4-3-5-9-16)22(29)19-14-26-20-11-7-6-10-17(19)20/h3-11,14-15,18,21,23,26,30,33H,12-13H2,1-2H3,(H,27,31)(H,28,32)/t18-,21+,23+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.80n/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
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50072580
PNG
((2R,3S)-2-Allyl-N*4*-[(S)-1-benzyl-2-oxo-2-(1H-pyr...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1cc[nH]c1
Show InChI InChI=1S/C24H31N3O4/c1-4-8-19(24(30)27-31)20(13-16(2)3)23(29)26-21(14-17-9-6-5-7-10-17)22(28)18-11-12-25-15-18/h4-7,9-12,15-16,19-21,25,31H,1,8,13-14H2,2-3H3,(H,26,29)(H,27,30)/t19-,20+,21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/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))
BDBM50072576
PNG
((7S,8R,11S)-8-Isobutyl-11-(4-methanesulfonyl-benzo...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)c1ccc(cc1)S(C)(=O)=O)cc2)C(=O)NO
Show InChI InChI=1S/C28H36N2O7S/c1-18(2)16-24-23(28(33)30-34)6-4-5-15-37-21-11-7-19(8-12-21)17-25(29-27(24)32)26(31)20-9-13-22(14-10-20)38(3,35)36/h7-14,18,23-25,34H,4-6,15-17H2,1-3H3,(H,29,32)(H,30,33)/t23-,24+,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.5n/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-7 (MMP7)


(Homo sapiens (Human))
BDBM50072577
PNG
((2R,3S)-2-Allyl-N*4*-((S)-1-benzyl-2-oxo-2-pyridin...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1cccnc1
Show InChI InChI=1S/C25H31N3O4/c1-4-9-20(25(31)28-32)21(14-17(2)3)24(30)27-22(15-18-10-6-5-7-11-18)23(29)19-12-8-13-26-16-19/h4-8,10-13,16-17,20-22,32H,1,9,14-15H2,2-3H3,(H,27,30)(H,28,31)/t20-,21+,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.60n/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
Collagenase


(homo sapiens (human))
BDBM50072577
PNG
((2R,3S)-2-Allyl-N*4*-((S)-1-benzyl-2-oxo-2-pyridin...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1cccnc1
Show InChI InChI=1S/C25H31N3O4/c1-4-9-20(25(31)28-32)21(14-17(2)3)24(30)27-22(15-18-10-6-5-7-11-18)23(29)19-12-8-13-26-16-19/h4-8,10-13,16-17,20-22,32H,1,9,14-15H2,2-3H3,(H,27,30)(H,28,31)/t20-,21+,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.60n/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
Stromelysin-1


(Homo sapiens (human))
BDBM50072567
PNG
((7S,8R,11S)-11-Benzoyl-8-isobutyl-9-oxo-2-oxa-10-a...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)c1ccccc1)cc2)C(=O)NO
Show InChI InChI=1S/C27H34N2O5/c1-18(2)16-23-22(27(32)29-33)10-6-7-15-34-21-13-11-19(12-14-21)17-24(28-26(23)31)25(30)20-8-4-3-5-9-20/h3-5,8-9,11-14,18,22-24,33H,6-7,10,15-17H2,1-2H3,(H,28,31)(H,29,32)/t22-,23+,24-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.90n/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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50072579
PNG
((8S,9R,12S)-12-Benzoyl-9-isobutyl-10-oxo-2-oxa-11-...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCCOc2ccc(C[C@H](NC1=O)C(=O)c1ccccc1)cc2)C(=O)NO
Show InChI InChI=1S/C28H36N2O5/c1-19(2)17-24-23(28(33)30-34)11-7-4-8-16-35-22-14-12-20(13-15-22)18-25(29-27(24)32)26(31)21-9-5-3-6-10-21/h3,5-6,9-10,12-15,19,23-25,34H,4,7-8,11,16-18H2,1-2H3,(H,29,32)(H,30,33)/t23-,24+,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.10n/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
Collagenase


(homo sapiens (human))
BDBM50072567
PNG
((7S,8R,11S)-11-Benzoyl-8-isobutyl-9-oxo-2-oxa-10-a...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)c1ccccc1)cc2)C(=O)NO
Show InChI InChI=1S/C27H34N2O5/c1-18(2)16-23-22(27(32)29-33)10-6-7-15-34-21-13-11-19(12-14-21)17-24(28-26(23)31)25(30)20-8-4-3-5-9-20/h3-5,8-9,11-14,18,22-24,33H,6-7,10,15-17H2,1-2H3,(H,28,31)(H,29,32)/t22-,23+,24-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 9.5n/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
Stromelysin-1


(Homo sapiens (human))
BDBM50072576
PNG
((7S,8R,11S)-8-Isobutyl-11-(4-methanesulfonyl-benzo...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)c1ccc(cc1)S(C)(=O)=O)cc2)C(=O)NO
Show InChI InChI=1S/C28H36N2O7S/c1-18(2)16-24-23(28(33)30-34)6-4-5-15-37-21-11-7-19(8-12-21)17-25(29-27(24)32)26(31)20-9-13-22(14-10-20)38(3,35)36/h7-14,18,23-25,34H,4-6,15-17H2,1-3H3,(H,29,32)(H,30,33)/t23-,24+,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.80n/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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50072578
PNG
((2R,3S)-2-Allyl-N*4*-((S)-1-benzyl-2-oxo-2-phenyl-...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H32N2O4/c1-4-11-21(26(31)28-32)22(16-18(2)3)25(30)27-23(17-19-12-7-5-8-13-19)24(29)20-14-9-6-10-15-20/h4-10,12-15,18,21-23,32H,1,11,16-17H2,2-3H3,(H,27,30)(H,28,31)/t21-,22+,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 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))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
Article
PubMed
n/an/a 10n/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
Stromelysin-1


(Homo sapiens (human))
BDBM50072577
PNG
((2R,3S)-2-Allyl-N*4*-((S)-1-benzyl-2-oxo-2-pyridin...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1cccnc1
Show InChI InChI=1S/C25H31N3O4/c1-4-9-20(25(31)28-32)21(14-17(2)3)24(30)27-22(15-18-10-6-5-7-11-18)23(29)19-12-8-13-26-16-19/h4-8,10-13,16-17,20-22,32H,1,9,14-15H2,2-3H3,(H,27,30)(H,28,31)/t20-,21+,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/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
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
Article
PubMed
n/an/a 11n/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
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50070453
PNG
((2R,3S)-2-Allyl-N*1*-hydroxy-3-isobutyl-N*4*-((S)-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CC=C)C(=O)NO
Show InChI InChI=1S/C21H31N3O4/c1-5-9-16(20(26)24-28)17(12-14(2)3)19(25)23-18(21(27)22-4)13-15-10-7-6-8-11-15/h5-8,10-11,14,16-18,28H,1,9,12-13H2,2-4H3,(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
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 11n/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
Stromelysin-1


(Homo sapiens (human))
BDBM50070453
PNG
((2R,3S)-2-Allyl-N*1*-hydroxy-3-isobutyl-N*4*-((S)-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CC=C)C(=O)NO
Show InChI InChI=1S/C21H31N3O4/c1-5-9-16(20(26)24-28)17(12-14(2)3)19(25)23-18(21(27)22-4)13-15-10-7-6-8-11-15/h5-8,10-11,14,16-18,28H,1,9,12-13H2,2-4H3,(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
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 12n/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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50072567
PNG
((7S,8R,11S)-11-Benzoyl-8-isobutyl-9-oxo-2-oxa-10-a...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)c1ccccc1)cc2)C(=O)NO
Show InChI InChI=1S/C27H34N2O5/c1-18(2)16-23-22(27(32)29-33)10-6-7-15-34-21-13-11-19(12-14-21)17-24(28-26(23)31)25(30)20-8-4-3-5-9-20/h3-5,8-9,11-14,18,22-24,33H,6-7,10,15-17H2,1-2H3,(H,28,31)(H,29,32)/t22-,23+,24-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 13n/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))
BDBM50072571
PNG
((2R,3S)-2-Allyl-N*4*-((S)-1-benzyl-2-oxo-2-thiophe...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1cccs1
Show InChI InChI=1S/C24H30N2O4S/c1-4-9-18(24(29)26-30)19(14-16(2)3)23(28)25-20(15-17-10-6-5-7-11-17)22(27)21-12-8-13-31-21/h4-8,10-13,16,18-20,30H,1,9,14-15H2,2-3H3,(H,25,28)(H,26,29)/t18-,19+,20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50072577
PNG
((2R,3S)-2-Allyl-N*4*-((S)-1-benzyl-2-oxo-2-pyridin...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1cccnc1
Show InChI InChI=1S/C25H31N3O4/c1-4-9-20(25(31)28-32)21(14-17(2)3)24(30)27-22(15-18-10-6-5-7-11-18)23(29)19-12-8-13-26-16-19/h4-8,10-13,16-17,20-22,32H,1,9,14-15H2,2-3H3,(H,27,30)(H,28,31)/t20-,21+,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14n/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))
BDBM50072570
PNG
((2R,3S)-2-Allyl-N*4*-((S)-1-benzyl-2-oxo-propyl)-N...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(C)=O
Show InChI InChI=1S/C21H30N2O4/c1-5-9-17(21(26)23-27)18(12-14(2)3)20(25)22-19(15(4)24)13-16-10-7-6-8-11-16/h5-8,10-11,14,17-19,27H,1,9,12-13H2,2-4H3,(H,22,25)(H,23,26)/t17-,18+,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 16n/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))
BDBM50072570
PNG
((2R,3S)-2-Allyl-N*4*-((S)-1-benzyl-2-oxo-propyl)-N...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(C)=O
Show InChI InChI=1S/C21H30N2O4/c1-5-9-17(21(26)23-27)18(12-14(2)3)20(25)22-19(15(4)24)13-16-10-7-6-8-11-16/h5-8,10-11,14,17-19,27H,1,9,12-13H2,2-4H3,(H,22,25)(H,23,26)/t17-,18+,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 22n/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
Collagenase


(homo sapiens (human))
BDBM50072581
PNG
((2R,3S)-2-Allyl-N*4*-[(S)-1-benzyl-2-(1-methyl-1H-...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1cn(C)c2ccccc12
Show InChI InChI=1S/C29H35N3O4/c1-5-11-22(29(35)31-36)23(16-19(2)3)28(34)30-25(17-20-12-7-6-8-13-20)27(33)24-18-32(4)26-15-10-9-14-21(24)26/h5-10,12-15,18-19,22-23,25,36H,1,11,16-17H2,2-4H3,(H,30,34)(H,31,35)/t22-,23+,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 23n/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-7 (MMP7)


(Homo sapiens (Human))
BDBM50072581
PNG
((2R,3S)-2-Allyl-N*4*-[(S)-1-benzyl-2-(1-methyl-1H-...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1cn(C)c2ccccc12
Show InChI InChI=1S/C29H35N3O4/c1-5-11-22(29(35)31-36)23(16-19(2)3)28(34)30-25(17-20-12-7-6-8-13-20)27(33)24-18-32(4)26-15-10-9-14-21(24)26/h5-10,12-15,18-19,22-23,25,36H,1,11,16-17H2,2-4H3,(H,30,34)(H,31,35)/t22-,23+,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 29n/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))
BDBM50072562
PNG
((2R,3S)-2-Allyl-N*4*-((S)-1-benzyl-2-oxo-butyl)-N*...)
Show SMILES CCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CC=C)C(=O)NO
Show InChI InChI=1S/C22H32N2O4/c1-5-10-17(22(27)24-28)18(13-15(3)4)21(26)23-19(20(25)6-2)14-16-11-8-7-9-12-16/h5,7-9,11-12,15,17-19,28H,1,6,10,13-14H2,2-4H3,(H,23,26)(H,24,27)/t17-,18+,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 33n/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
Stromelysin-1


(Homo sapiens (human))
BDBM50072581
PNG
((2R,3S)-2-Allyl-N*4*-[(S)-1-benzyl-2-(1-methyl-1H-...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1cn(C)c2ccccc12
Show InChI InChI=1S/C29H35N3O4/c1-5-11-22(29(35)31-36)23(16-19(2)3)28(34)30-25(17-20-12-7-6-8-13-20)27(33)24-18-32(4)26-15-10-9-14-21(24)26/h5-10,12-15,18-19,22-23,25,36H,1,11,16-17H2,2-4H3,(H,30,34)(H,31,35)/t22-,23+,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 36n/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
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50072562
PNG
((2R,3S)-2-Allyl-N*4*-((S)-1-benzyl-2-oxo-butyl)-N*...)
Show SMILES CCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CC=C)C(=O)NO
Show InChI InChI=1S/C22H32N2O4/c1-5-10-17(22(27)24-28)18(13-15(3)4)21(26)23-19(20(25)6-2)14-16-11-8-7-9-12-16/h5,7-9,11-12,15,17-19,28H,1,6,10,13-14H2,2-4H3,(H,23,26)(H,24,27)/t17-,18+,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 39n/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
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50072584
PNG
((7S,8R,11S)-11-(4-tert-Butyl-benzoyl)-8-isobutyl-9...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)c1ccc(cc1)C(C)(C)C)cc2)C(=O)NO
Show InChI InChI=1S/C31H42N2O5/c1-20(2)18-26-25(30(36)33-37)8-6-7-17-38-24-15-9-21(10-16-24)19-27(32-29(26)35)28(34)22-11-13-23(14-12-22)31(3,4)5/h9-16,20,25-27,37H,6-8,17-19H2,1-5H3,(H,32,35)(H,33,36)/t25-,26+,27-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 40n/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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50072562
PNG
((2R,3S)-2-Allyl-N*4*-((S)-1-benzyl-2-oxo-butyl)-N*...)
Show SMILES CCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CC=C)C(=O)NO
Show InChI InChI=1S/C22H32N2O4/c1-5-10-17(22(27)24-28)18(13-15(3)4)21(26)23-19(20(25)6-2)14-16-11-8-7-9-12-16/h5,7-9,11-12,15,17-19,28H,1,6,10,13-14H2,2-4H3,(H,23,26)(H,24,27)/t17-,18+,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 40n/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))
BDBM50072570
PNG
((2R,3S)-2-Allyl-N*4*-((S)-1-benzyl-2-oxo-propyl)-N...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(C)=O
Show InChI InChI=1S/C21H30N2O4/c1-5-9-17(21(26)23-27)18(12-14(2)3)20(25)22-19(15(4)24)13-16-10-7-6-8-11-16/h5-8,10-11,14,17-19,27H,1,9,12-13H2,2-4H3,(H,22,25)(H,23,26)/t17-,18+,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 45n/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
Stromelysin-1


(Homo sapiens (human))
BDBM50072565
PNG
((2R,3S)-2-Allyl-N*4*-[(S)-2-(1H-benzoimidazol-2-yl...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C27H32N4O4/c1-4-10-19(27(34)31-35)20(15-17(2)3)26(33)30-23(16-18-11-6-5-7-12-18)24(32)25-28-21-13-8-9-14-22(21)29-25/h4-9,11-14,17,19-20,23,35H,1,10,15-16H2,2-3H3,(H,28,29)(H,30,33)(H,31,34)/t19-,20+,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 54n/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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50072576
PNG
((7S,8R,11S)-8-Isobutyl-11-(4-methanesulfonyl-benzo...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)c1ccc(cc1)S(C)(=O)=O)cc2)C(=O)NO
Show InChI InChI=1S/C28H36N2O7S/c1-18(2)16-24-23(28(33)30-34)6-4-5-15-37-21-11-7-19(8-12-21)17-25(29-27(24)32)26(31)20-9-13-22(14-10-20)38(3,35)36/h7-14,18,23-25,34H,4-6,15-17H2,1-3H3,(H,29,32)(H,30,33)/t23-,24+,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/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))
BDBM50072565
PNG
((2R,3S)-2-Allyl-N*4*-[(S)-2-(1H-benzoimidazol-2-yl...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C27H32N4O4/c1-4-10-19(27(34)31-35)20(15-17(2)3)26(33)30-23(16-18-11-6-5-7-12-18)24(32)25-28-21-13-8-9-14-22(21)29-25/h4-9,11-14,17,19-20,23,35H,1,10,15-16H2,2-3H3,(H,28,29)(H,30,33)(H,31,34)/t19-,20+,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 68n/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
Stromelysin-1


(Homo sapiens (human))
BDBM50072562
PNG
((2R,3S)-2-Allyl-N*4*-((S)-1-benzyl-2-oxo-butyl)-N*...)
Show SMILES CCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CC=C)C(=O)NO
Show InChI InChI=1S/C22H32N2O4/c1-5-10-17(22(27)24-28)18(13-15(3)4)21(26)23-19(20(25)6-2)14-16-11-8-7-9-12-16/h5,7-9,11-12,15,17-19,28H,1,6,10,13-14H2,2-4H3,(H,23,26)(H,24,27)/t17-,18+,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 82n/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))
BDBM50072584
PNG
((7S,8R,11S)-11-(4-tert-Butyl-benzoyl)-8-isobutyl-9...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)c1ccc(cc1)C(C)(C)C)cc2)C(=O)NO
Show InChI InChI=1S/C31H42N2O5/c1-20(2)18-26-25(30(36)33-37)8-6-7-17-38-24-15-9-21(10-16-24)19-27(32-29(26)35)28(34)22-11-13-23(14-12-22)31(3,4)5/h9-16,20,25-27,37H,6-8,17-19H2,1-5H3,(H,32,35)(H,33,36)/t25-,26+,27-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 91n/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
Collagenase


(homo sapiens (human))
BDBM50072565
PNG
((2R,3S)-2-Allyl-N*4*-[(S)-2-(1H-benzoimidazol-2-yl...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C27H32N4O4/c1-4-10-19(27(34)31-35)20(15-17(2)3)26(33)30-23(16-18-11-6-5-7-12-18)24(32)25-28-21-13-8-9-14-22(21)29-25/h4-9,11-14,17,19-20,23,35H,1,10,15-16H2,2-3H3,(H,28,29)(H,30,33)(H,31,34)/t19-,20+,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/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
Stromelysin-1


(Homo sapiens (human))
BDBM50072584
PNG
((7S,8R,11S)-11-(4-tert-Butyl-benzoyl)-8-isobutyl-9...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)c1ccc(cc1)C(C)(C)C)cc2)C(=O)NO
Show InChI InChI=1S/C31H42N2O5/c1-20(2)18-26-25(30(36)33-37)8-6-7-17-38-24-15-9-21(10-16-24)19-27(32-29(26)35)28(34)22-11-13-23(14-12-22)31(3,4)5/h9-16,20,25-27,37H,6-8,17-19H2,1-5H3,(H,32,35)(H,33,36)/t25-,26+,27-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 110n/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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50072565
PNG
((2R,3S)-2-Allyl-N*4*-[(S)-2-(1H-benzoimidazol-2-yl...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C27H32N4O4/c1-4-10-19(27(34)31-35)20(15-17(2)3)26(33)30-23(16-18-11-6-5-7-12-18)24(32)25-28-21-13-8-9-14-22(21)29-25/h4-9,11-14,17,19-20,23,35H,1,10,15-16H2,2-3H3,(H,28,29)(H,30,33)(H,31,34)/t19-,20+,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 180n/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))
BDBM50072573
PNG
((2R,3S)-2-Allyl-N*4*-((S)-1-benzyl-2-oxo-2-thiazol...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C23H29N3O4S/c1-4-8-17(22(29)26-30)18(13-15(2)3)21(28)25-19(14-16-9-6-5-7-10-16)20(27)23-24-11-12-31-23/h4-7,9-12,15,17-19,30H,1,8,13-14H2,2-3H3,(H,25,28)(H,26,29)/t17-,18+,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 220n/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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50072584
PNG
((7S,8R,11S)-11-(4-tert-Butyl-benzoyl)-8-isobutyl-9...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)c1ccc(cc1)C(C)(C)C)cc2)C(=O)NO
Show InChI InChI=1S/C31H42N2O5/c1-20(2)18-26-25(30(36)33-37)8-6-7-17-38-24-15-9-21(10-16-24)19-27(32-29(26)35)28(34)22-11-13-23(14-12-22)31(3,4)5/h9-16,20,25-27,37H,6-8,17-19H2,1-5H3,(H,32,35)(H,33,36)/t25-,26+,27-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 270n/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))
BDBM50072573
PNG
((2R,3S)-2-Allyl-N*4*-((S)-1-benzyl-2-oxo-2-thiazol...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C23H29N3O4S/c1-4-8-17(22(29)26-30)18(13-15(2)3)21(28)25-19(14-16-9-6-5-7-10-16)20(27)23-24-11-12-31-23/h4-7,9-12,15,17-19,30H,1,8,13-14H2,2-3H3,(H,25,28)(H,26,29)/t17-,18+,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 360n/an/an/an/an/an/a



Abbott Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloproteinase 3 (MMP3)


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))
BDBM50072573
PNG
((2R,3S)-2-Allyl-N*4*-((S)-1-benzyl-2-oxo-2-thiazol...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C23H29N3O4S/c1-4-8-17(22(29)26-30)18(13-15(2)3)21(28)25-19(14-16-9-6-5-7-10-16)20(27)23-24-11-12-31-23/h4-7,9-12,15,17-19,30H,1,8,13-14H2,2-3H3,(H,25,28)(H,26,29)/t17-,18+,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Abbott Laboratory

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase 2 (MMP2) of 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
* indicates data uncertainty>20%