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SMILES: Cc1ccccc1C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O

InChI Key: InChIKey=LPSDGPPONMJJGK-JOCHJYFZSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50077159   
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))
BDBM50077159
PNG
((R)-3-(1H-Indol-3-yl)-2-(5-o-tolylethynyl-thiophen...)
Show SMILES Cc1ccccc1C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H20N2O4S2/c1-16-6-2-3-7-17(16)10-11-19-12-13-23(31-19)32(29,30)26-22(24(27)28)14-18-15-25-21-9-5-4-8-20(18)21/h2-9,12-13,15,22,25-26H,14H2,1H3,(H,27,28)/t22-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 81n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-2 (concentration required for 50% inhibition of enzyme activity)


J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50077159
PNG
((R)-3-(1H-Indol-3-yl)-2-(5-o-tolylethynyl-thiophen...)
Show SMILES Cc1ccccc1C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H20N2O4S2/c1-16-6-2-3-7-17(16)10-11-19-12-13-23(31-19)32(29,30)26-22(24(27)28)14-18-15-25-21-9-5-4-8-20(18)21/h2-9,12-13,15,22,25-26H,14H2,1H3,(H,27,28)/t22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-9 (concentration required for 50% inhibition of enzyme activity)


J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair