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BDBM50077790 (2S,3R,6S)-10-Benzenesulfonyl-4-oxo-3-(3-phenyl-propyl)-1-oxa-5,10-diaza-cyclotetradecane-2,6-dicarboxylic acid 2-hydroxyamide 6-methylamide::CHEMBL32310

SMILES: CNC(=O)[C@@H]1CCCN(CCCCO[C@@H]([C@@H](CCCc2ccccc2)C(=O)N1)C(=O)NO)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=KXPIKWNUKVNKRA-ZNZIZOMTSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50077790   
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))
BDBM50077790
PNG
((2S,3R,6S)-10-Benzenesulfonyl-4-oxo-3-(3-phenyl-pr...)
Show SMILES CNC(=O)[C@@H]1CCCN(CCCCO[C@@H]([C@@H](CCCc2ccccc2)C(=O)N1)C(=O)NO)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H40N4O7S/c1-30-28(35)25-18-11-20-33(41(38,39)23-15-6-3-7-16-23)19-8-9-21-40-26(29(36)32-37)24(27(34)31-25)17-10-14-22-12-4-2-5-13-22/h2-7,12-13,15-16,24-26,37H,8-11,14,17-21H2,1H3,(H,30,35)(H,31,34)(H,32,36)/t24-,25+,26+/m1/s1
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MMDB

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PC cid
PC sid
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2n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9(MMP-9)


Bioorg Med Chem Lett 9: 1453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WZS
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50077790
PNG
((2S,3R,6S)-10-Benzenesulfonyl-4-oxo-3-(3-phenyl-pr...)
Show SMILES CNC(=O)[C@@H]1CCCN(CCCCO[C@@H]([C@@H](CCCc2ccccc2)C(=O)N1)C(=O)NO)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H40N4O7S/c1-30-28(35)25-18-11-20-33(41(38,39)23-15-6-3-7-16-23)19-8-9-21-40-26(29(36)32-37)24(27(34)31-25)17-10-14-22-12-4-2-5-13-22/h2-7,12-13,15-16,24-26,37H,8-11,14,17-21H2,1H3,(H,30,35)(H,31,34)(H,32,36)/t24-,25+,26+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
110n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 9: 1453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WZS
More data for this
Ligand-Target Pair