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SMILES: CC(=O)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO

InChI Key: InChIKey=BBYYDINTRXZVIU-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50320427   
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
Collagenase 3


(Homo sapiens (Human))
BDBM50320427
PNG
(4-(4-(4-(4-acetylpiperazine-1-carbonyl)piperidin-1...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H34N4O7S/c1-18(29)26-12-14-28(15-13-26)22(30)19-6-10-27(11-7-19)20-2-4-21(5-3-20)36(33,34)24(23(31)25-32)8-16-35-17-9-24/h2-5,19,32H,6-17H2,1H3,(H,25,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50320427
PNG
(4-(4-(4-(4-acetylpiperazine-1-carbonyl)piperidin-1...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H34N4O7S/c1-18(29)26-12-14-28(15-13-26)22(30)19-6-10-27(11-7-19)20-2-4-21(5-3-20)36(33,34)24(23(31)25-32)8-16-35-17-9-24/h2-5,19,32H,6-17H2,1H3,(H,25,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair