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SMILES: CS(=O)(=O)N(C[C@H](N1CCC(O)CC1)C(=O)NO)c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1

InChI Key: InChIKey=BHIHZVBFDJREPF-FQEVSTJZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50230528   
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))
BDBM50230528
PNG
((S)-N-hydroxy-2-(4-hydroxypiperidin-1-yl)-3-(N-(4-...)
Show SMILES CS(=O)(=O)N(C[C@H](N1CCC(O)CC1)C(=O)NO)c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H26F3N3O6S/c1-35(32,33)28(14-20(21(30)26-31)27-12-10-17(29)11-13-27)16-4-8-19(9-5-16)34-18-6-2-15(3-7-18)22(23,24)25/h2-9,17,20,29,31H,10-14H2,1H3,(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 5.70n/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))
BDBM50230528
PNG
((S)-N-hydroxy-2-(4-hydroxypiperidin-1-yl)-3-(N-(4-...)
Show SMILES CS(=O)(=O)N(C[C@H](N1CCC(O)CC1)C(=O)NO)c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H26F3N3O6S/c1-35(32,33)28(14-20(21(30)26-31)27-12-10-17(29)11-13-27)16-4-8-19(9-5-16)34-18-6-2-15(3-7-18)22(23,24)25/h2-9,17,20,29,31H,10-14H2,1H3,(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 1.90n/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