BindingDB logo
myBDB logout

null

SMILES: CN(C(=O)CCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO)c1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=CLXRDURJLYSMHZ-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50343063   
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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50343063
PNG
(CHEMBL1770697 | N-hydroxy-4-(4-(4-(methyl(4-(trifl...)
Show SMILES CN(C(=O)CCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H27F3N2O8S/c1-29(17-4-6-19(7-5-17)37-24(25,26)27)21(30)3-2-14-36-18-8-10-20(11-9-18)38(33,34)23(22(31)28-32)12-15-35-16-13-23/h4-11,32H,2-3,12-16H2,1H3,(H,28,31)
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 380n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50343063
PNG
(CHEMBL1770697 | N-hydroxy-4-(4-(4-(methyl(4-(trifl...)
Show SMILES CN(C(=O)CCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H27F3N2O8S/c1-29(17-4-6-19(7-5-17)37-24(25,26)27)21(30)3-2-14-36-18-8-10-20(11-9-18)38(33,34)23(22(31)28-32)12-15-35-16-13-23/h4-11,32H,2-3,12-16H2,1H3,(H,28,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP13


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50343063
PNG
(CHEMBL1770697 | N-hydroxy-4-(4-(4-(methyl(4-(trifl...)
Show SMILES CN(C(=O)CCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H27F3N2O8S/c1-29(17-4-6-19(7-5-17)37-24(25,26)27)21(30)3-2-14-36-18-8-10-20(11-9-18)38(33,34)23(22(31)28-32)12-15-35-16-13-23/h4-11,32H,2-3,12-16H2,1H3,(H,28,31)
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 49n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP8


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50343063
PNG
(CHEMBL1770697 | N-hydroxy-4-(4-(4-(methyl(4-(trifl...)
Show SMILES CN(C(=O)CCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H27F3N2O8S/c1-29(17-4-6-19(7-5-17)37-24(25,26)27)21(30)3-2-14-36-18-8-10-20(11-9-18)38(33,34)23(22(31)28-32)12-15-35-16-13-23/h4-11,32H,2-3,12-16H2,1H3,(H,28,31)
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 270n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP2


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair