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SMILES: CNC(=O)C1CCN(CC1)[C@@H](CN(c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1)S(C)(=O)=O)C(=O)NO

InChI Key: InChIKey=NXDUTDHMFGWNPY-NRFANRHFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50230501   
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))
BDBM50230501
PNG
((S)-1-(1-(hydroxyamino)-1-oxo-3-(N-(4-(4-(trifluor...)
Show SMILES CNC(=O)C1CCN(CC1)[C@@H](CN(c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C24H29F3N4O6S/c1-28-22(32)16-11-13-30(14-12-16)21(23(33)29-34)15-31(38(2,35)36)18-5-9-20(10-6-18)37-19-7-3-17(4-8-19)24(25,26)27/h3-10,16,21,34H,11-15H2,1-2H3,(H,28,32)(H,29,33)/t21-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 5.5n/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))
BDBM50230501
PNG
((S)-1-(1-(hydroxyamino)-1-oxo-3-(N-(4-(4-(trifluor...)
Show SMILES CNC(=O)C1CCN(CC1)[C@@H](CN(c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C24H29F3N4O6S/c1-28-22(32)16-11-13-30(14-12-16)21(23(33)29-34)15-31(38(2,35)36)18-5-9-20(10-6-18)37-19-7-3-17(4-8-19)24(25,26)27/h3-10,16,21,34H,11-15H2,1-2H3,(H,28,32)(H,29,33)/t21-/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 2.5n/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