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SMILES: CSc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)CC(CN1C(=O)NC(C)(C)C1=O)N(O)C=O

InChI Key: InChIKey=MMRISAVXAFHOJP-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50108141   
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))
BDBM50108141
PNG
(CHEMBL76757 | N-[1-(4,4-Dimethyl-2,5-dioxo-imidazo...)
Show SMILES CSc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)CC(CN1C(=O)NC(C)(C)C1=O)N(O)C=O
Show InChI InChI=1S/C22H25N3O6S2/c1-22(2)20(27)24(21(28)23-22)12-17(25(29)14-26)13-33(30,31)19-10-6-16(7-11-19)15-4-8-18(32-3)9-5-15/h4-11,14,17,29H,12-13H2,1-3H3,(H,23,28)
PDB
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PC cid
PC sid
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PubMed
n/an/a 1.10n/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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50108141
PNG
(CHEMBL76757 | N-[1-(4,4-Dimethyl-2,5-dioxo-imidazo...)
Show SMILES CSc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)CC(CN1C(=O)NC(C)(C)C1=O)N(O)C=O
Show InChI InChI=1S/C22H25N3O6S2/c1-22(2)20(27)24(21(28)23-22)12-17(25(29)14-26)13-33(30,31)19-10-6-16(7-11-19)15-4-8-18(32-3)9-5-15/h4-11,14,17,29H,12-13H2,1-3H3,(H,23,28)
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PubMed
n/an/a 0.670n/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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50108141
PNG
(CHEMBL76757 | N-[1-(4,4-Dimethyl-2,5-dioxo-imidazo...)
Show SMILES CSc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)CC(CN1C(=O)NC(C)(C)C1=O)N(O)C=O
Show InChI InChI=1S/C22H25N3O6S2/c1-22(2)20(27)24(21(28)23-22)12-17(25(29)14-26)13-33(30,31)19-10-6-16(7-11-19)15-4-8-18(32-3)9-5-15/h4-11,14,17,29H,12-13H2,1-3H3,(H,23,28)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.90n/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