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SMILES: CS(=O)(=O)N(C[C@H](N1CCN(CC1)S(C)(=O)=O)C(=O)NO)c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1

InChI Key: InChIKey=SKGCSJBALNLNLA-FQEVSTJZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50230498   
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))
BDBM50230498
PNG
((S)-N-hydroxy-2-(4-(methylsulfonyl)piperazin-1-yl)...)
Show SMILES CS(=O)(=O)N(C[C@H](N1CCN(CC1)S(C)(=O)=O)C(=O)NO)c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H27F3N4O7S2/c1-37(32,33)28-13-11-27(12-14-28)20(21(30)26-31)15-29(38(2,34)35)17-5-9-19(10-6-17)36-18-7-3-16(4-8-18)22(23,24)25/h3-10,20,31H,11-15H2,1-2H3,(H,26,30)/t20-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 9.90n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50230498
PNG
((S)-N-hydroxy-2-(4-(methylsulfonyl)piperazin-1-yl)...)
Show SMILES CS(=O)(=O)N(C[C@H](N1CCN(CC1)S(C)(=O)=O)C(=O)NO)c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H27F3N4O7S2/c1-37(32,33)28-13-11-27(12-14-28)20(21(30)26-31)15-29(38(2,34)35)17-5-9-19(10-6-17)36-18-7-3-16(4-8-18)22(23,24)25/h3-10,20,31H,11-15H2,1-2H3,(H,26,30)/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair