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BDBM50108157 CHEMBL75139::N-[2-[4-(4-Chloro-phenoxy)-benzenesulfonyl]-1-(3,4,4-trimethyl-2,5-dioxo-imidazolidin-1-ylmethyl)-ethyl]-N-hydroxy-formamide

SMILES: CN1C(=O)N(CC(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)N(O)C=O)C(=O)C1(C)C

InChI Key: InChIKey=SBVGWUXDJBPGDG-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50108157   
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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50108157
PNG
(CHEMBL75139 | N-[2-[4-(4-Chloro-phenoxy)-benzenesu...)
Show SMILES CN1C(=O)N(CC(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)N(O)C=O)C(=O)C1(C)C
Show InChI InChI=1S/C22H24ClN3O7S/c1-22(2)20(28)25(21(29)24(22)3)12-16(26(30)14-27)13-34(31,32)19-10-8-18(9-11-19)33-17-6-4-15(23)5-7-17/h4-11,14,16,30H,12-13H2,1-3H3
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PubMed
n/an/a 1.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro selective inhibition against Matrix metalloprotease-9 (MMP-9) using fluorimetric assay


J Med Chem 45: 219-32 (2001)


BindingDB Entry DOI: 10.7270/Q2XP747B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50108157
PNG
(CHEMBL75139 | N-[2-[4-(4-Chloro-phenoxy)-benzenesu...)
Show SMILES CN1C(=O)N(CC(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)N(O)C=O)C(=O)C1(C)C
Show InChI InChI=1S/C22H24ClN3O7S/c1-22(2)20(28)25(21(29)24(22)3)12-16(26(30)14-27)13-34(31,32)19-10-8-18(9-11-19)33-17-6-4-15(23)5-7-17/h4-11,14,16,30H,12-13H2,1-3H3
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Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50108157
PNG
(CHEMBL75139 | N-[2-[4-(4-Chloro-phenoxy)-benzenesu...)
Show SMILES CN1C(=O)N(CC(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)N(O)C=O)C(=O)C1(C)C
Show InChI InChI=1S/C22H24ClN3O7S/c1-22(2)20(28)25(21(29)24(22)3)12-16(26(30)14-27)13-34(31,32)19-10-8-18(9-11-19)33-17-6-4-15(23)5-7-17/h4-11,14,16,30H,12-13H2,1-3H3
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PubMed
n/an/a 280n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro selective inhibition against matrix metalloprotease-1 (MMP-1) using a fluorimetric assay


J Med Chem 45: 219-32 (2001)


BindingDB Entry DOI: 10.7270/Q2XP747B
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50108157
PNG
(CHEMBL75139 | N-[2-[4-(4-Chloro-phenoxy)-benzenesu...)
Show SMILES CN1C(=O)N(CC(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)N(O)C=O)C(=O)C1(C)C
Show InChI InChI=1S/C22H24ClN3O7S/c1-22(2)20(28)25(21(29)24(22)3)12-16(26(30)14-27)13-34(31,32)19-10-8-18(9-11-19)33-17-6-4-15(23)5-7-17/h4-11,14,16,30H,12-13H2,1-3H3
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PubMed
n/an/a 0.720n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro selective inhibition against matrix metalloprotease-2 (MMP-2) using fluorimetric assay


J Med Chem 45: 219-32 (2001)


BindingDB Entry DOI: 10.7270/Q2XP747B
More data for this
Ligand-Target Pair