BindingDB logo
myBDB logout

10 similar compounds to monomer 50086884

Compile data set for download or QSAR
Wt: 442.5
BDBM50062305
Wt: 402.4
BDBM50062340
Wt: 444.5
BDBM50062355
Wt: 484.6
BDBM50284750
Wt: 458.5
BDBM50284753
Wt: 429.6
BDBM50284754
Wt: 456.5
BDBM50284755
Wt: 441.5
BDBM50284756
Wt: 473.6
BDBM50286345
Wt: 621.8
BDBM50366735

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50062305,50062340,50062355,50284750,50284753,50284754,50284755,50284756,50286345,50366735   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Collagenase


(Homo sapiens (Human))
BDBM50284753
PNG
((R)-N*1*-[(S)-1-Hexylcarbamoyl-2-(1H-indol-3-yl)-e...)
Show SMILES CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C25H38N4O4/c1-4-5-6-9-12-26-25(32)22(14-19-16-27-21-11-8-7-10-20(19)21)28-24(31)18(13-17(2)3)15-23(30)29-33/h7-8,10-11,16-18,22,27,33H,4-6,9,12-15H2,1-3H3,(H,26,32)(H,28,31)(H,29,30)/t18-,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
0.300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil gelatinase, matrix metalloproteinase-2


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50284753
PNG
((R)-N*1*-[(S)-1-Hexylcarbamoyl-2-(1H-indol-3-yl)-e...)
Show SMILES CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C25H38N4O4/c1-4-5-6-9-12-26-25(32)22(14-19-16-27-21-11-8-7-10-20(19)21)28-24(31)18(13-17(2)3)15-23(30)29-33/h7-8,10-11,16-18,22,27,33H,4-6,9,12-15H2,1-3H3,(H,26,32)(H,28,31)(H,29,30)/t18-,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
0.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-8


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50062340
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-1-methylcarb...)
Show SMILES CNC(=O)[C@H](Cc1cn(C)c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C21H30N4O4/c1-13(2)9-14(11-19(26)24-29)20(27)23-17(21(28)22-3)10-15-12-25(4)18-8-6-5-7-16(15)18/h5-8,12-14,17,29H,9-11H2,1-4H3,(H,22,28)(H,23,27)(H,24,26)/t14-,17+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.660n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)


J Med Chem 41: 199-223 (1998)


Article DOI: 10.1021/jm970494j
BindingDB Entry DOI: 10.7270/Q2Q52NRB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50284755
PNG
(2-[(Formyl-hydroxy-amino)-methyl]-4-methyl-pentano...)
Show SMILES CC(C)C[C@H](CN(O)C=O)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C25H36N4O4/c1-18(2)13-20(16-29(33)17-30)24(31)27-22-14-19-15-28(23-10-6-5-9-21(19)23)12-8-4-3-7-11-26-25(22)32/h5-6,9-10,15,17-18,20,22,33H,3-4,7-8,11-14,16H2,1-2H3,(H,26,32)(H,27,31)/t20-,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50062340
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-1-methylcarb...)
Show SMILES CNC(=O)[C@H](Cc1cn(C)c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C21H30N4O4/c1-13(2)9-14(11-19(26)24-29)20(27)23-17(21(28)22-3)10-15-12-25(4)18-8-6-5-7-16(15)18/h5-8,12-14,17,29H,9-11H2,1-4H3,(H,22,28)(H,23,27)(H,24,26)/t14-,17+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards 92 kDa gelatinase (Matrix metalloproteinase-9)


J Med Chem 41: 199-223 (1998)


Article DOI: 10.1021/jm970494j
BindingDB Entry DOI: 10.7270/Q2Q52NRB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50284755
PNG
(2-[(Formyl-hydroxy-amino)-methyl]-4-methyl-pentano...)
Show SMILES CC(C)C[C@H](CN(O)C=O)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C25H36N4O4/c1-18(2)13-20(16-29(33)17-30)24(31)27-22-14-19-15-28(23-10-6-5-9-21(19)23)12-8-4-3-7-11-26-25(22)32/h5-6,9-10,15,17-18,20,22,33H,3-4,7-8,11-14,16H2,1-2H3,(H,26,32)(H,27,31)/t20-,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



TBA

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil gelatinase, matrix metalloproteinase-2


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50284754
PNG
((S)-2-Mercaptomethyl-4-methyl-pentanoic acid ((S)-...)
Show SMILES CC(C)C[C@H](CS)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C24H35N3O2S/c1-17(2)13-19(16-30)23(28)26-21-14-18-15-27(22-10-6-5-9-20(18)22)12-8-4-3-7-11-25-24(21)29/h5-6,9-10,15,17,19,21,30H,3-4,7-8,11-14,16H2,1-2H3,(H,25,29)(H,26,28)/t19-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50286345
PNG
((R)-N*1*-[(S)-1-(4-Dimethylamino-butylcarbamoyl)-2...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCN(C)C
Show InChI InChI=1S/C25H39N5O4/c1-17(2)13-18(15-23(31)29-34)24(32)28-22(25(33)26-11-7-8-12-30(3)4)14-19-16-27-21-10-6-5-9-20(19)21/h5-6,9-10,16-18,22,27,34H,7-8,11-15H2,1-4H3,(H,26,33)(H,28,32)(H,29,31)/t18-,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50284753
PNG
((R)-N*1*-[(S)-1-Hexylcarbamoyl-2-(1H-indol-3-yl)-e...)
Show SMILES CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C25H38N4O4/c1-4-5-6-9-12-26-25(32)22(14-19-16-27-21-11-8-7-10-20(19)21)28-24(31)18(13-17(2)3)15-23(30)29-33/h7-8,10-11,16-18,22,27,33H,4-6,9,12-15H2,1-3H3,(H,26,32)(H,28,31)(H,29,30)/t18-,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50062355
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-pen...)
Show SMILES CCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C24H36N4O4/c1-4-5-8-11-25-24(31)21(13-18-15-26-20-10-7-6-9-19(18)20)27-23(30)17(12-16(2)3)14-22(29)28-32/h6-7,9-10,15-17,21,26,32H,4-5,8,11-14H2,1-3H3,(H,25,31)(H,27,30)(H,28,29)/t17-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.60n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards 72 kDa gelatinase (Matrix metalloproteinase-2)


J Med Chem 41: 199-223 (1998)


Article DOI: 10.1021/jm970494j
BindingDB Entry DOI: 10.7270/Q2Q52NRB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50284753
PNG
((R)-N*1*-[(S)-1-Hexylcarbamoyl-2-(1H-indol-3-yl)-e...)
Show SMILES CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C25H38N4O4/c1-4-5-6-9-12-26-25(32)22(14-19-16-27-21-11-8-7-10-20(19)21)28-24(31)18(13-17(2)3)15-23(30)29-33/h7-8,10-11,16-18,22,27,33H,4-6,9,12-15H2,1-3H3,(H,26,32)(H,28,31)(H,29,30)/t18-,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-7


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50062355
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-pen...)
Show SMILES CCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C24H36N4O4/c1-4-5-8-11-25-24(31)21(13-18-15-26-20-10-7-6-9-19(18)20)27-23(30)17(12-16(2)3)14-22(29)28-32/h6-7,9-10,15-17,21,26,32H,4-5,8,11-14H2,1-3H3,(H,25,31)(H,27,30)(H,28,29)/t17-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.5n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)


J Med Chem 41: 199-223 (1998)


Article DOI: 10.1021/jm970494j
BindingDB Entry DOI: 10.7270/Q2Q52NRB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50062355
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-pen...)
Show SMILES CCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C24H36N4O4/c1-4-5-8-11-25-24(31)21(13-18-15-26-20-10-7-6-9-19(18)20)27-23(30)17(12-16(2)3)14-22(29)28-32/h6-7,9-10,15-17,21,26,32H,4-5,8,11-14H2,1-3H3,(H,25,31)(H,27,30)(H,28,29)/t17-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.10n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards 92 kDa gelatinase (Matrix metalloproteinase-9)


J Med Chem 41: 199-223 (1998)


Article DOI: 10.1021/jm970494j
BindingDB Entry DOI: 10.7270/Q2Q52NRB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50062305
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-(1H-indol-3-ylmethyl)...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C24H34N4O4/c1-16(2)12-17(14-22(29)27-32)23(30)26-21(24(31)28-10-6-3-7-11-28)13-18-15-25-20-9-5-4-8-19(18)20/h4-5,8-9,15-17,21,25,32H,3,6-7,10-14H2,1-2H3,(H,26,30)(H,27,29)/t17-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards 92 kDa gelatinase (Matrix metalloproteinase-9)


J Med Chem 41: 199-223 (1998)


Article DOI: 10.1021/jm970494j
BindingDB Entry DOI: 10.7270/Q2Q52NRB
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50284756
PNG
((R)-5-Methyl-3-((S)-9-oxo-1,8-diaza-tricyclo[10.6....)
Show SMILES CC(C)C[C@H](CC(O)=O)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C25H35N3O4/c1-17(2)13-18(15-23(29)30)24(31)27-21-14-19-16-28(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,29,30)/t18-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-8


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50284755
PNG
(2-[(Formyl-hydroxy-amino)-methyl]-4-methyl-pentano...)
Show SMILES CC(C)C[C@H](CN(O)C=O)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C25H36N4O4/c1-18(2)13-20(16-29(33)17-30)24(31)27-22-14-19-15-28(23-10-6-5-9-21(19)23)12-8-4-3-7-11-26-25(22)32/h5-6,9-10,15,17-18,20,22,33H,3-4,7-8,11-14,16H2,1-2H3,(H,26,32)(H,27,31)/t20-,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50284755
PNG
(2-[(Formyl-hydroxy-amino)-methyl]-4-methyl-pentano...)
Show SMILES CC(C)C[C@H](CN(O)C=O)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C25H36N4O4/c1-18(2)13-20(16-29(33)17-30)24(31)27-22-14-19-15-28(23-10-6-5-9-21(19)23)12-8-4-3-7-11-26-25(22)32/h5-6,9-10,15,17-18,20,22,33H,3-4,7-8,11-14,16H2,1-2H3,(H,26,32)(H,27,31)/t20-,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-7


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50062305
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-(1H-indol-3-ylmethyl)...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C24H34N4O4/c1-16(2)12-17(14-22(29)27-32)23(30)26-21(24(31)28-10-6-3-7-11-28)13-18-15-25-20-9-5-4-8-19(18)20/h4-5,8-9,15-17,21,25,32H,3,6-7,10-14H2,1-2H3,(H,26,30)(H,27,29)/t17-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
19n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards 72 kDa gelatinase (Matrix metalloproteinase-2)


J Med Chem 41: 199-223 (1998)


Article DOI: 10.1021/jm970494j
BindingDB Entry DOI: 10.7270/Q2Q52NRB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50284750
PNG
((R)-2-[(S)-3-Methyl-1-((S)-9-oxo-1,8-diaza-tricycl...)
Show SMILES CC[C@@H](N[C@@H](CC(C)C)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21)C(O)=O
Show InChI InChI=1S/C27H40N4O4/c1-4-21(27(34)35)29-22(15-18(2)3)26(33)30-23-16-19-17-31(24-12-8-7-11-20(19)24)14-10-6-5-9-13-28-25(23)32/h7-8,11-12,17-18,21-23,29H,4-6,9-10,13-16H2,1-3H3,(H,28,32)(H,30,33)(H,34,35)/t21-,22+,23+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50284756
PNG
((R)-5-Methyl-3-((S)-9-oxo-1,8-diaza-tricyclo[10.6....)
Show SMILES CC(C)C[C@H](CC(O)=O)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C25H35N3O4/c1-17(2)13-18(15-23(29)30)24(31)27-21-14-19-16-28(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,29,30)/t18-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50062305
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-(1H-indol-3-ylmethyl)...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C24H34N4O4/c1-16(2)12-17(14-22(29)27-32)23(30)26-21(24(31)28-10-6-3-7-11-28)13-18-15-25-20-9-5-4-8-19(18)20/h4-5,8-9,15-17,21,25,32H,3,6-7,10-14H2,1-2H3,(H,26,30)(H,27,29)/t17-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
27n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)


J Med Chem 41: 199-223 (1998)


Article DOI: 10.1021/jm970494j
BindingDB Entry DOI: 10.7270/Q2Q52NRB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50284754
PNG
((S)-2-Mercaptomethyl-4-methyl-pentanoic acid ((S)-...)
Show SMILES CC(C)C[C@H](CS)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C24H35N3O2S/c1-17(2)13-19(16-30)23(28)26-21-14-18-15-27(22-10-6-5-9-20(18)22)12-8-4-3-7-11-25-24(21)29/h5-6,9-10,15,17,19,21,30H,3-4,7-8,11-14,16H2,1-2H3,(H,25,29)(H,26,28)/t19-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
114n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-7


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50284756
PNG
((R)-5-Methyl-3-((S)-9-oxo-1,8-diaza-tricyclo[10.6....)
Show SMILES CC(C)C[C@H](CC(O)=O)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C25H35N3O4/c1-17(2)13-18(15-23(29)30)24(31)27-21-14-19-16-28(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,29,30)/t18-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
115n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil gelatinase, matrix metalloproteinase-2


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50284754
PNG
((S)-2-Mercaptomethyl-4-methyl-pentanoic acid ((S)-...)
Show SMILES CC(C)C[C@H](CS)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C24H35N3O2S/c1-17(2)13-19(16-30)23(28)26-21-14-18-15-27(22-10-6-5-9-20(18)22)12-8-4-3-7-11-25-24(21)29/h5-6,9-10,15,17,19,21,30H,3-4,7-8,11-14,16H2,1-2H3,(H,25,29)(H,26,28)/t19-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
>800n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50284756
PNG
((R)-5-Methyl-3-((S)-9-oxo-1,8-diaza-tricyclo[10.6....)
Show SMILES CC(C)C[C@H](CC(O)=O)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C25H35N3O4/c1-17(2)13-18(15-23(29)30)24(31)27-21-14-19-16-28(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,29,30)/t18-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
850n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-7


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50284750
PNG
((R)-2-[(S)-3-Methyl-1-((S)-9-oxo-1,8-diaza-tricycl...)
Show SMILES CC[C@@H](N[C@@H](CC(C)C)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21)C(O)=O
Show InChI InChI=1S/C27H40N4O4/c1-4-21(27(34)35)29-22(15-18(2)3)26(33)30-23-16-19-17-31(24-12-8-7-11-20(19)24)14-10-6-5-9-13-28-25(23)32/h7-8,11-12,17-18,21-23,29H,4-6,9-10,13-16H2,1-3H3,(H,28,32)(H,30,33)(H,34,35)/t21-,22+,23+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
3.23E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-7


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50284756
PNG
((R)-5-Methyl-3-((S)-9-oxo-1,8-diaza-tricyclo[10.6....)
Show SMILES CC(C)C[C@H](CC(O)=O)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C25H35N3O4/c1-17(2)13-18(15-23(29)30)24(31)27-21-14-19-16-28(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,29,30)/t18-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
4.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50284750
PNG
((R)-2-[(S)-3-Methyl-1-((S)-9-oxo-1,8-diaza-tricycl...)
Show SMILES CC[C@@H](N[C@@H](CC(C)C)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21)C(O)=O
Show InChI InChI=1S/C27H40N4O4/c1-4-21(27(34)35)29-22(15-18(2)3)26(33)30-23-16-19-17-31(24-12-8-7-11-20(19)24)14-10-6-5-9-13-28-25(23)32/h7-8,11-12,17-18,21-23,29H,4-6,9-10,13-16H2,1-3H3,(H,28,32)(H,30,33)(H,34,35)/t21-,22+,23+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
2.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)
BDBM50366735
PNG
(CHEMBL1793993)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(CC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C35H51N5O5/c1-5-23(4)31-35(45)40-20-14-13-19-30(40)34(44)36-27(17-10-8-9-15-25(41)6-2)32(42)37-28(33(43)38-31)21-24-22-39(7-3)29-18-12-11-16-26(24)29/h11-12,16,18,22-23,27-28,30-31H,5-10,13-15,17,19-21H2,1-4H3,(H,36,44)(H,37,42)(H,38,43)/t23-,27-,28-,30+,31-/m0/s1
KEGG

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase enzyme derived from partially purified extracts of Eimeria tenella protozoa using [3H]11 as radioliga...


Bioorg Med Chem Lett 11: 113-7 (2001)


Article DOI: 10.1016/s0960-894x(00)00605-3
BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair