BindingDB logo
myBDB logout

null

SMILES: CCCOc1ccc(cc1)S(=O)(=O)N1C\C(C[C@@H]1C(=O)NO)=N/OC

InChI Key: InChIKey=NVNGYUBMJMOHQL-RQNDZEIBSA-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 3 hits for monomerid = 50084221   
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
Stromelysin-1


(Homo sapiens (Human))
BDBM50084221
PNG
((R)-4-[(Z)-Methoxyimino]-1-(4-propoxy-benzenesulfo...)
Show SMILES CCCOc1ccc(cc1)S(=O)(=O)N1C\C(C[C@@H]1C(=O)NO)=N/OC
Show InChI InChI=1S/C15H21N3O6S/c1-3-8-24-12-4-6-13(7-5-12)25(21,22)18-10-11(17-23-2)9-14(18)15(19)16-20/h4-7,14,20H,3,8-10H2,1-2H3,(H,16,19)/b17-11-/t14-/m1/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 2n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro inhibition activity of human recombinant stromelysin (Matrix metalloproteinase-3)


J Med Chem 42: 5426-36 (2000)


BindingDB Entry DOI: 10.7270/Q2Q23ZGT
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50084221
PNG
((R)-4-[(Z)-Methoxyimino]-1-(4-propoxy-benzenesulfo...)
Show SMILES CCCOc1ccc(cc1)S(=O)(=O)N1C\C(C[C@@H]1C(=O)NO)=N/OC
Show InChI InChI=1S/C15H21N3O6S/c1-3-8-24-12-4-6-13(7-5-12)25(21,22)18-10-11(17-23-2)9-14(18)15(19)16-20/h4-7,14,20H,3,8-10H2,1-2H3,(H,16,19)/b17-11-/t14-/m1/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 13n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant collagenase-1 (Matrix metalloproteinase-1, MMP-1)


J Med Chem 42: 5426-36 (2000)


BindingDB Entry DOI: 10.7270/Q2Q23ZGT
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))
BDBM50084221
PNG
((R)-4-[(Z)-Methoxyimino]-1-(4-propoxy-benzenesulfo...)
Show SMILES CCCOc1ccc(cc1)S(=O)(=O)N1C\C(C[C@@H]1C(=O)NO)=N/OC
Show InChI InChI=1S/C15H21N3O6S/c1-3-8-24-12-4-6-13(7-5-12)25(21,22)18-10-11(17-23-2)9-14(18)15(19)16-20/h4-7,14,20H,3,8-10H2,1-2H3,(H,16,19)/b17-11-/t14-/m1/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 381n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro inhibition of matrilysin (Matrix metalloproteinase-7, MMP-7)


J Med Chem 42: 5426-36 (2000)


BindingDB Entry DOI: 10.7270/Q2Q23ZGT
More data for this
Ligand-Target Pair