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BDBM13140 (2R)-6-(dimethylamino)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylmethyl)sulfonamido]hexanamide::CGS 27023A Analog 72

SMILES: COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](CCCCN(C)C)C(=O)NO

InChI Key: InChIKey=ZCIXKXJJBYSJKM-HXUWFJFHSA-N

Data: 1 KI

PDB links: 3 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 13140   
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))
BDBM13140
PNG
((2R)-6-(dimethylamino)-N-hydroxy-2-[(4-methoxybenz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](CCCCN(C)C)C(=O)NO |r|
Show InChI InChI=1S/C21H30N4O5S/c1-24(2)14-5-4-8-20(21(26)23-27)25(16-17-7-6-13-22-15-17)31(28,29)19-11-9-18(30-3)10-12-19/h6-7,9-13,15,20,27H,4-5,8,14,16H2,1-3H3,(H,23,26)/t20-/m1/s1
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Similars

Article
PubMed
81n/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