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BDBM13089 CGS 27023A Analog 17::N-hydroxy-2-{[4-(3-methylbutoxy)benzene](2-methylpropyl)sulfonamido}acetamide

SMILES: CC(C)CCOc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO

InChI Key: InChIKey=GATKQMPWFHNBFF-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 = 13089   
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))
BDBM13089
PNG
(CGS 27023A Analog 17 | N-hydroxy-2-{[4-(3-methylbu...)
Show SMILES CC(C)CCOc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
Show InChI InChI=1S/C17H28N2O5S/c1-13(2)9-10-24-15-5-7-16(8-6-15)25(22,23)19(11-14(3)4)12-17(20)18-21/h5-8,13-14,21H,9-12H2,1-4H3,(H,18,20)
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

Patents

Article
PubMed
78n/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
Stromelysin-1


(Homo sapiens (Human))
BDBM13089
PNG
(CGS 27023A Analog 17 | N-hydroxy-2-{[4-(3-methylbu...)
Show SMILES CC(C)CCOc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
Show InChI InChI=1S/C17H28N2O5S/c1-13(2)9-10-24-15-5-7-16(8-6-15)25(22,23)19(11-14(3)4)12-17(20)18-21/h5-8,13-14,21H,9-12H2,1-4H3,(H,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
78 -10.1n/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