new BindingDB logo
myBDB logout

BDBM13105 CGS 27023A Analog 33::N-hydroxy-2-[(4-methoxybenzene)[(4-methoxyphenyl)methyl]sulfonamido]acetamide

SMILES: COc1ccc(CN(CC(=O)NO)S(=O)(=O)c2ccc(OC)cc2)cc1

InChI Key: InChIKey=FVEJQZRUPDCJKK-UHFFFAOYSA-N

Data: 1 KI  2 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 = 13105   
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))
BDBM13105
PNG
(CGS 27023A Analog 33 | N-hydroxy-2-[(4-methoxybenz...)
Show SMILES COc1ccc(CN(CC(=O)NO)S(=O)(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C17H20N2O6S/c1-24-14-5-3-13(4-6-14)11-19(12-17(20)18-21)26(22,23)16-9-7-15(25-2)8-10-16/h3-10,21H,11-12H2,1-2H3,(H,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
104n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
Meprin A subunit beta


(Homo sapiens)
BDBM13105
PNG
(CGS 27023A Analog 33 | N-hydroxy-2-[(4-methoxybenz...)
Show SMILES COc1ccc(CN(CC(=O)NO)S(=O)(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C17H20N2O6S/c1-24-14-5-3-13(4-6-14)11-19(12-17(20)18-21)26(22,23)16-9-7-15(25-2)8-10-16/h3-10,21H,11-12H2,1-2H3,(H,18,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.50E+4n/an/an/an/an/an/a



Fraunhofer Institute for Cell Therapy and Immunology IZI

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2428-2431 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.012
BindingDB Entry DOI: 10.7270/Q2CR5WH0
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM13105
PNG
(CGS 27023A Analog 33 | N-hydroxy-2-[(4-methoxybenz...)
Show SMILES COc1ccc(CN(CC(=O)NO)S(=O)(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C17H20N2O6S/c1-24-14-5-3-13(4-6-14)11-19(12-17(20)18-21)26(22,23)16-9-7-15(25-2)8-10-16/h3-10,21H,11-12H2,1-2H3,(H,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.90E+4n/an/an/an/an/an/a



FibroGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PCP after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 7397-401 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.067
BindingDB Entry DOI: 10.7270/Q22808SM
More data for this
Ligand-Target Pair