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SMILES: CCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O

InChI Key: InChIKey=JWTZXWCNQFZKDO-HSZRJFAPSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50077157   
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))
BDBM50077157
PNG
((R)-2-[5-(4-Ethyl-phenylethynyl)-thiophene-2-sulfo...)
Show SMILES CCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C25H22N2O4S2/c1-2-17-7-9-18(10-8-17)11-12-20-13-14-24(32-20)33(30,31)27-23(25(28)29)15-19-16-26-22-6-4-3-5-21(19)22/h3-10,13-14,16,23,26-27H,2,15H2,1H3,(H,28,29)/t23-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.5n/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))
BDBM50077157
PNG
((R)-2-[5-(4-Ethyl-phenylethynyl)-thiophene-2-sulfo...)
Show SMILES CCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C25H22N2O4S2/c1-2-17-7-9-18(10-8-17)11-12-20-13-14-24(32-20)33(30,31)27-23(25(28)29)15-19-16-26-22-6-4-3-5-21(19)22/h3-10,13-14,16,23,26-27H,2,15H2,1H3,(H,28,29)/t23-/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 7.30n/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