BindingDB logo
myBDB logout

BDBM50095566 4-Morpholin-4-yl-1-(4-phenoxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid hydroxyamide::CHEMBL421766

SMILES: ONC(=O)[C@H]1C[C@@H](CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1)N1CCOCC1

InChI Key: InChIKey=MTGNBEKVSCTMSE-OXJNMPFZSA-N

Data: 3 IC50

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 3 hits for monomerid = 50095566   
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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50095566
PNG
(4-Morpholin-4-yl-1-(4-phenoxy-benzenesulfonyl)-pyr...)
Show SMILES ONC(=O)[C@H]1C[C@@H](CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1)N1CCOCC1
Show InChI InChI=1S/C21H25N3O6S/c25-21(22-26)20-14-16(23-10-12-29-13-11-23)15-24(20)31(27,28)19-8-6-18(7-9-19)30-17-4-2-1-3-5-17/h1-9,16,20,26H,10-15H2,(H,22,25)/t16-,20+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 19n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase -1 (collagenase-1)


J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50095566
PNG
(4-Morpholin-4-yl-1-(4-phenoxy-benzenesulfonyl)-pyr...)
Show SMILES ONC(=O)[C@H]1C[C@@H](CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1)N1CCOCC1
Show InChI InChI=1S/C21H25N3O6S/c25-21(22-26)20-14-16(23-10-12-29-13-11-23)15-24(20)31(27,28)19-8-6-18(7-9-19)30-17-4-2-1-3-5-17/h1-9,16,20,26H,10-15H2,(H,22,25)/t16-,20+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 710n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase-7 (matrilysin, MMP-7)


J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50095566
PNG
(4-Morpholin-4-yl-1-(4-phenoxy-benzenesulfonyl)-pyr...)
Show SMILES ONC(=O)[C@H]1C[C@@H](CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1)N1CCOCC1
Show InChI InChI=1S/C21H25N3O6S/c25-21(22-26)20-14-16(23-10-12-29-13-11-23)15-24(20)31(27,28)19-8-6-18(7-9-19)30-17-4-2-1-3-5-17/h1-9,16,20,26H,10-15H2,(H,22,25)/t16-,20+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 7n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase -3 (stromelysin)


J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair