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

InChI Key: InChIKey=SOPJLCCBZBCHFQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50320428   
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))
BDBM50320428
PNG
(CHEMBL1082658 | N-hydroxy-4-(4-(4-(4-isopropylpipe...)
Show SMILES CC(C)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C25H38N4O6S/c1-19(2)27-13-15-29(16-14-27)23(30)20-7-11-28(12-8-20)21-3-5-22(6-4-21)36(33,34)25(24(31)26-32)9-17-35-18-10-25/h3-6,19-20,32H,7-18H2,1-2H3,(H,26,31)
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 28n/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))
BDBM50320428
PNG
(CHEMBL1082658 | N-hydroxy-4-(4-(4-(4-isopropylpipe...)
Show SMILES CC(C)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C25H38N4O6S/c1-19(2)27-13-15-29(16-14-27)23(30)20-7-11-28(12-8-20)21-3-5-22(6-4-21)36(33,34)25(24(31)26-32)9-17-35-18-10-25/h3-6,19-20,32H,7-18H2,1-2H3,(H,26,31)
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 5.50E+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