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BDBM13092 CGS 27023A Analog 20::N-hydroxy-2-[(2-methylpropyl)[4-(propan-2-yloxy)benzene]sulfonamido]acetamide

SMILES: CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(OC(C)C)cc1

InChI Key: InChIKey=HBUCOYMWRVERSG-UHFFFAOYSA-N

Data: 2 KI

PDB links: 4 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 2 hits for monomerid = 13092   
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))
BDBM13092
PNG
(CGS 27023A Analog 20 | N-hydroxy-2-[(2-methylpropy...)
Show SMILES CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(OC(C)C)cc1
Show InChI InChI=1S/C15H24N2O5S/c1-11(2)9-17(10-15(18)16-19)23(20,21)14-7-5-13(6-8-14)22-12(3)4/h5-8,11-12,19H,9-10H2,1-4H3,(H,16,18)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
336 -9.18n/an/an/an/an/a7.537



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
Stromelysin-1


(Homo sapiens (Human))
BDBM13092
PNG
(CGS 27023A Analog 20 | N-hydroxy-2-[(2-methylpropy...)
Show SMILES CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(OC(C)C)cc1
Show InChI InChI=1S/C15H24N2O5S/c1-11(2)9-17(10-15(18)16-19)23(20,21)14-7-5-13(6-8-14)22-12(3)4/h5-8,11-12,19H,9-10H2,1-4H3,(H,16,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
339n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP3


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair