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SMILES: CC(C)N(C)[C@@H](CN(c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1)S(C)(=O)=O)C(=O)NO

InChI Key: InChIKey=ADRWSFRHTJKETB-IBGZPJMESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50230532   
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))
BDBM50230532
PNG
((S)-N-hydroxy-2-(isopropyl(methyl)amino)-3-(N-(4-(...)
Show SMILES CC(C)N(C)[C@@H](CN(c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C21H26F3N3O5S/c1-14(2)26(3)19(20(28)25-29)13-27(33(4,30)31)16-7-11-18(12-8-16)32-17-9-5-15(6-10-17)21(22,23)24/h5-12,14,19,29H,13H2,1-4H3,(H,25,28)/t19-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 24n/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))
BDBM50230532
PNG
((S)-N-hydroxy-2-(isopropyl(methyl)amino)-3-(N-(4-(...)
Show SMILES CC(C)N(C)[C@@H](CN(c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C21H26F3N3O5S/c1-14(2)26(3)19(20(28)25-29)13-27(33(4,30)31)16-7-11-18(12-8-16)32-17-9-5-15(6-10-17)21(22,23)24/h5-12,14,19,29H,13H2,1-4H3,(H,25,28)/t19-/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 8.80n/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