BindingDB logo
myBDB logout

4 similar compounds to monomer 50063917

Compile data set for download or QSAR
Wt: 331.4
BDBM50062324
Wt: 345.4
BDBM50082940
Wt: 331.4
BDBM50084665
Wt: 399.5
BDBM50180018

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50062324,50082940,50084665,50180018   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50062324
PNG
((2R,3S)-2,N*1*-Dihydroxy-3-isobutyl-N*4*-((R)-3-me...)
Show SMILES CNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO
Show InChI InChI=1S/C15H29N3O5/c1-8(2)6-10(12(19)15(22)18-23)13(20)17-11(7-9(3)4)14(21)16-5/h8-12,19,23H,6-7H2,1-5H3,(H,16,21)(H,17,20)(H,18,22)/t10-,11-,12+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.470n/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-8 (MMP-8)


(Homo sapiens (Human))
BDBM50062324
PNG
((2R,3S)-2,N*1*-Dihydroxy-3-isobutyl-N*4*-((R)-3-me...)
Show SMILES CNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO
Show InChI InChI=1S/C15H29N3O5/c1-8(2)6-10(12(19)15(22)18-23)13(20)17-11(7-9(3)4)14(21)16-5/h8-12,19,23H,6-7H2,1-5H3,(H,16,21)(H,17,20)(H,18,22)/t10-,11-,12+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.530n/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-9


(Homo sapiens (Human))
BDBM50062324
PNG
((2R,3S)-2,N*1*-Dihydroxy-3-isobutyl-N*4*-((R)-3-me...)
Show SMILES CNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO
Show InChI InChI=1S/C15H29N3O5/c1-8(2)6-10(12(19)15(22)18-23)13(20)17-11(7-9(3)4)14(21)16-5/h8-12,19,23H,6-7H2,1-5H3,(H,16,21)(H,17,20)(H,18,22)/t10-,11-,12+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.30n/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))
BDBM50180018
PNG
((S)-2,N*1*-Dihydroxy-3-isobutyl-N*4*-((S)-2-oxo-az...)
Show SMILES CC(C)CC([C@H](O)C(=O)NO)C(=O)N[C@H]1CCCCCCCCCCNC1=O
Show InChI InChI=1S/C20H37N3O5/c1-14(2)13-15(17(24)20(27)23-28)18(25)22-16-11-9-7-5-3-4-6-8-10-12-21-19(16)26/h14-17,24,28H,3-13H2,1-2H3,(H,21,26)(H,22,25)(H,23,27)/t15?,16-,17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP8


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50084665
PNG
(CHEMBL115189 | N*4*-(2,2-Dimethyl-1-methylcarbamoy...)
Show SMILES CNC(=O)C(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
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8 (MMP-8).


J Med Chem 43: 305-41 (2000)

Checked by Author
Article DOI: 10.1021/jm990412m
BindingDB Entry DOI: 10.7270/Q2JD4XH4
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50180018
PNG
((S)-2,N*1*-Dihydroxy-3-isobutyl-N*4*-((S)-2-oxo-az...)
Show SMILES CC(C)CC([C@H](O)C(=O)NO)C(=O)N[C@H]1CCCCCCCCCCNC1=O
Show InChI InChI=1S/C20H37N3O5/c1-14(2)13-15(17(24)20(27)23-28)18(25)22-16-11-9-7-5-3-4-6-8-10-12-21-19(16)26/h14-17,24,28H,3-13H2,1-2H3,(H,21,26)(H,22,25)(H,23,27)/t15?,16-,17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP1


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50180018
PNG
((S)-2,N*1*-Dihydroxy-3-isobutyl-N*4*-((S)-2-oxo-az...)
Show SMILES CC(C)CC([C@H](O)C(=O)NO)C(=O)N[C@H]1CCCCCCCCCCNC1=O
Show InChI InChI=1S/C20H37N3O5/c1-14(2)13-15(17(24)20(27)23-28)18(25)22-16-11-9-7-5-3-4-6-8-10-12-21-19(16)26/h14-17,24,28H,3-13H2,1-2H3,(H,21,26)(H,22,25)(H,23,27)/t15?,16-,17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP2


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50084665
PNG
(CHEMBL115189 | N*4*-(2,2-Dimethyl-1-methylcarbamoy...)
Show SMILES CNC(=O)C(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
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-9 (MMP-9).


J Med Chem 43: 305-41 (2000)

Checked by Author
Article DOI: 10.1021/jm990412m
BindingDB Entry DOI: 10.7270/Q2JD4XH4
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50084665
PNG
(CHEMBL115189 | N*4*-(2,2-Dimethyl-1-methylcarbamoy...)
Show SMILES CNC(=O)C(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
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-3 (MMP-3).


J Med Chem 43: 305-41 (2000)

Checked by Author
Article DOI: 10.1021/jm990412m
BindingDB Entry DOI: 10.7270/Q2JD4XH4
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50084665
PNG
(CHEMBL115189 | N*4*-(2,2-Dimethyl-1-methylcarbamoy...)
Show SMILES CNC(=O)C(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
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-7 (MMP-7).


J Med Chem 43: 305-41 (2000)

Checked by Author
Article DOI: 10.1021/jm990412m
BindingDB Entry DOI: 10.7270/Q2JD4XH4
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50084665
PNG
(CHEMBL115189 | N*4*-(2,2-Dimethyl-1-methylcarbamoy...)
Show SMILES CNC(=O)C(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
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-1 (MMP-1).


J Med Chem 43: 305-41 (2000)

Checked by Author
Article DOI: 10.1021/jm990412m
BindingDB Entry DOI: 10.7270/Q2JD4XH4
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50084665
PNG
(CHEMBL115189 | N*4*-(2,2-Dimethyl-1-methylcarbamoy...)
Show SMILES CNC(=O)C(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
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-2 (MMP-2).


J Med Chem 43: 305-41 (2000)

Checked by Author
Article DOI: 10.1021/jm990412m
BindingDB Entry DOI: 10.7270/Q2JD4XH4
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50180018
PNG
((S)-2,N*1*-Dihydroxy-3-isobutyl-N*4*-((S)-2-oxo-az...)
Show SMILES CC(C)CC([C@H](O)C(=O)NO)C(=O)N[C@H]1CCCCCCCCCCNC1=O
Show InChI InChI=1S/C20H37N3O5/c1-14(2)13-15(17(24)20(27)23-28)18(25)22-16-11-9-7-5-3-4-6-8-10-12-21-19(16)26/h14-17,24,28H,3-13H2,1-2H3,(H,21,26)(H,22,25)(H,23,27)/t15?,16-,17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP7


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50082940
PNG
((2R,3S)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-p...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](OC)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C16H31N3O5/c1-9(2)8-10(11(24-7)14(21)19-23)13(20)18-12(15(22)17-6)16(3,4)5/h9-12,23H,8H2,1-7H3,(H,17,22)(H,18,20)(H,19,21)/t10-,11+,12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory activity against Tumor necrosis factor alpha-converting enzyme (TACE) in blood.


J Med Chem 42: 4890-908 (1999)


Article DOI: 10.1021/jm990377j
BindingDB Entry DOI: 10.7270/Q2HM57NS
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50082940
PNG
((2R,3S)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-p...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](OC)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C16H31N3O5/c1-9(2)8-10(11(24-7)14(21)19-23)13(20)18-12(15(22)17-6)16(3,4)5/h9-12,23H,8H2,1-7H3,(H,17,22)(H,18,20)(H,19,21)/t10-,11+,12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of TNF(tumor necrosis factor) in human blood


J Med Chem 42: 4890-908 (1999)


Article DOI: 10.1021/jm990377j
BindingDB Entry DOI: 10.7270/Q2HM57NS
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50180018
PNG
((S)-2,N*1*-Dihydroxy-3-isobutyl-N*4*-((S)-2-oxo-az...)
Show SMILES CC(C)CC([C@H](O)C(=O)NO)C(=O)N[C@H]1CCCCCCCCCCNC1=O
Show InChI InChI=1S/C20H37N3O5/c1-14(2)13-15(17(24)20(27)23-28)18(25)22-16-11-9-7-5-3-4-6-8-10-12-21-19(16)26/h14-17,24,28H,3-13H2,1-2H3,(H,21,26)(H,22,25)(H,23,27)/t15?,16-,17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP3


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair