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BDBM50320431 CHEMBL1083607::N-hydroxy-4-(4-(4-(4-(2-hydroxyethyl)piperazine-1-carbonyl)piperidin-1-yl)phenylsulfonyl)tetrahydro-2H-pyran-4-carboxamide

SMILES: OCCN1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO

InChI Key: InChIKey=PXTTXJDSBQDLQB-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50320431   
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


(Homo sapiens (Human))
BDBM50320431
PNG
(CHEMBL1083607 | N-hydroxy-4-(4-(4-(4-(2-hydroxyeth...)
Show SMILES OCCN1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H36N4O7S/c29-16-15-26-11-13-28(14-12-26)22(30)19-5-9-27(10-6-19)20-1-3-21(4-2-20)36(33,34)24(23(31)25-32)7-17-35-18-8-24/h1-4,19,29,32H,5-18H2,(H,25,31)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/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
Collagenase


(Homo sapiens (Human))
BDBM50320431
PNG
(CHEMBL1083607 | N-hydroxy-4-(4-(4-(4-(2-hydroxyeth...)
Show SMILES OCCN1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H36N4O7S/c29-16-15-26-11-13-28(14-12-26)22(30)19-5-9-27(10-6-19)20-1-3-21(4-2-20)36(33,34)24(23(31)25-32)7-17-35-18-8-24/h1-4,19,29,32H,5-18H2,(H,25,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.00E+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