BindingDB logo
myBDB logout

4 similar compounds to monomer 50070228

Compile data set for download or QSAR
Wt: 316.4
BDBM50070229
Wt: 485.7
BDBM50070241
Wt: 485.7
BDBM50070242
Wt: 443.6
BDBM50070246

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50070229,50070241,50070242,50070246   
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))
BDBM50070241
PNG
(2-(2-Mercapto-acetyl)-nonanoic acid [(S)-1-(2-ethy...)
Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NC(=O)C(CC(C)C)NCC
Show InChI InChI=1S/C25H47N3O4S/c1-7-9-10-11-12-13-19(22(29)16-33)23(30)27-21(15-18(5)6)25(32)28-24(31)20(26-8-2)14-17(3)4/h17-21,26,33H,7-16H2,1-6H3,(H,27,30)(H,28,31,32)/t19?,20?,21-/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



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against gelatinase-B(MMP-9).


Bioorg Med Chem Lett 8: 1157-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00185-1
BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50070229
PNG
(2-(2-Mercapto-acetyl)-4-methyl-pentanoic acid ((S)...)
Show SMILES CNC(=O)[C@@H](NC(=O)C(CC(C)C)C(=O)CS)C(C)(C)C
Show InChI InChI=1S/C15H28N2O3S/c1-9(2)7-10(11(18)8-21)13(19)17-12(14(20)16-6)15(3,4)5/h9-10,12,21H,7-8H2,1-6H3,(H,16,20)(H,17,19)/t10?,12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against gelatinase-B(MMP-9).


Bioorg Med Chem Lett 8: 1157-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00185-1
BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50070229
PNG
(2-(2-Mercapto-acetyl)-4-methyl-pentanoic acid ((S)...)
Show SMILES CNC(=O)[C@@H](NC(=O)C(CC(C)C)C(=O)CS)C(C)(C)C
Show InChI InChI=1S/C15H28N2O3S/c1-9(2)7-10(11(18)8-21)13(19)17-12(14(20)16-6)15(3,4)5/h9-10,12,21H,7-8H2,1-6H3,(H,16,20)(H,17,19)/t10?,12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 8: 1157-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00185-1
BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50070242
PNG
(2-(2-Mercapto-acetyl)-nonanoic acid [(S)-1-(2-ethy...)
Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CCCC)C(=O)NC(=O)C(CC(C)C)NCC
Show InChI InChI=1S/C25H47N3O4S/c1-6-9-11-12-13-14-19(22(29)17-33)23(30)27-20(15-10-7-2)24(31)28-25(32)21(26-8-3)16-18(4)5/h18-21,26,33H,6-17H2,1-5H3,(H,27,30)(H,28,31,32)/t19?,20-,21?/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 28n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 8: 1157-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00185-1
BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50070229
PNG
(2-(2-Mercapto-acetyl)-4-methyl-pentanoic acid ((S)...)
Show SMILES CNC(=O)[C@@H](NC(=O)C(CC(C)C)C(=O)CS)C(C)(C)C
Show InChI InChI=1S/C15H28N2O3S/c1-9(2)7-10(11(18)8-21)13(19)17-12(14(20)16-6)15(3,4)5/h9-10,12,21H,7-8H2,1-6H3,(H,16,20)(H,17,19)/t10?,12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against collagenase-1(MMP-1).


Bioorg Med Chem Lett 8: 1157-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00185-1
BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50070241
PNG
(2-(2-Mercapto-acetyl)-nonanoic acid [(S)-1-(2-ethy...)
Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NC(=O)C(CC(C)C)NCC
Show InChI InChI=1S/C25H47N3O4S/c1-7-9-10-11-12-13-19(22(29)16-33)23(30)27-21(15-18(5)6)25(32)28-24(31)20(26-8-2)14-17(3)4/h17-21,26,33H,7-16H2,1-6H3,(H,27,30)(H,28,31,32)/t19?,20?,21-/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 26n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 8: 1157-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00185-1
BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50070246
PNG
(2-(2-Mercapto-acetyl)-4-methyl-pentanoic acid [(S)...)
Show SMILES CCNC(CC(C)C)C(=O)NC(=O)[C@H](CC(C)C)NC(=O)C(CC(C)C)C(=O)CS
Show InChI InChI=1S/C22H41N3O4S/c1-8-23-17(10-14(4)5)21(28)25-22(29)18(11-15(6)7)24-20(27)16(9-13(2)3)19(26)12-30/h13-18,23,30H,8-12H2,1-7H3,(H,24,27)(H,25,28,29)/t16?,17?,18-/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 860n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 8: 1157-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00185-1
BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50070241
PNG
(2-(2-Mercapto-acetyl)-nonanoic acid [(S)-1-(2-ethy...)
Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NC(=O)C(CC(C)C)NCC
Show InChI InChI=1S/C25H47N3O4S/c1-7-9-10-11-12-13-19(22(29)16-33)23(30)27-21(15-18(5)6)25(32)28-24(31)20(26-8-2)14-17(3)4/h17-21,26,33H,7-16H2,1-6H3,(H,27,30)(H,28,31,32)/t19?,20?,21-/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>10n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against collagenase-1(MMP-1).


Bioorg Med Chem Lett 8: 1157-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00185-1
BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair