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SMILES: CS(=O)(=O)N(C[C@H](N1CCS(=O)(=O)CC1)C(=O)NO)c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1

InChI Key: InChIKey=UUKCYLIDEZGIBS-IBGZPJMESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50230515   
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))
BDBM50230515
PNG
((S)-2-(1,1-dioxo-1lambda*6*-thiomorpholin-4-yl)-N-...)
Show SMILES CS(=O)(=O)N(C[C@H](N1CCS(=O)(=O)CC1)C(=O)NO)c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H24F3N3O7S2/c1-35(30,31)27(14-19(20(28)25-29)26-10-12-36(32,33)13-11-26)16-4-8-18(9-5-16)34-17-6-2-15(3-7-17)21(22,23)24/h2-9,19,29H,10-14H2,1H3,(H,25,28)/t19-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Patents


Similars

Article
PubMed
n/an/a 4.80n/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))
BDBM50230515
PNG
((S)-2-(1,1-dioxo-1lambda*6*-thiomorpholin-4-yl)-N-...)
Show SMILES CS(=O)(=O)N(C[C@H](N1CCS(=O)(=O)CC1)C(=O)NO)c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H24F3N3O7S2/c1-35(30,31)27(14-19(20(28)25-29)26-10-12-36(32,33)13-11-26)16-4-8-18(9-5-16)34-17-6-2-15(3-7-17)21(22,23)24/h2-9,19,29H,10-14H2,1H3,(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 1.70n/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