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BDBM50291443 (R)-2-(2-Mercapto-acetylamino)-3-methanesulfinyl-N-((S)-1-methylcarbamoyl-2-phenyl-ethyl)-propionamide::CHEMBL172226

SMILES: CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS(C)=O)NC(=O)CS

InChI Key: InChIKey=RIWGGIBTQIYKGG-HCDOGKATSA-N

Data: 3 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 = 50291443   
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
Matrix metalloproteinase-9 (MMP-9)


(Rattus norvegicus (Rat))
BDBM50291443
PNG
((R)-2-(2-Mercapto-acetylamino)-3-methanesulfinyl-N...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS(C)=O)NC(=O)CS
Show InChI InChI=1S/C16H23N3O4S2/c1-17-15(21)12(8-11-6-4-3-5-7-11)19-16(22)13(10-25(2)23)18-14(20)9-24/h3-7,12-13,24H,8-10H2,1-2H3,(H,17,21)(H,18,20)(H,19,22)/t12-,13-,25?/m0/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
n/an/a 350n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Matrix Matrix metalloproteinase-9 in adjuvant arthritic rat model of rheumatoid arthritis


Bioorg Med Chem Lett 7: 897-902 (1997)

More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50291443
PNG
((R)-2-(2-Mercapto-acetylamino)-3-methanesulfinyl-N...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS(C)=O)NC(=O)CS
Show InChI InChI=1S/C16H23N3O4S2/c1-17-15(21)12(8-11-6-4-3-5-7-11)19-16(22)13(10-25(2)23)18-14(20)9-24/h3-7,12-13,24H,8-10H2,1-2H3,(H,17,21)(H,18,20)(H,19,22)/t12-,13-,25?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
n/an/a 8.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Matrix metalloproteinase-3 (MMP-3) in adjuvant arthritic rat model of rheumatoid arthritis


Bioorg Med Chem Lett 7: 897-902 (1997)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 8


(Rattus norvegicus)
BDBM50291443
PNG
((R)-2-(2-Mercapto-acetylamino)-3-methanesulfinyl-N...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS(C)=O)NC(=O)CS
Show InChI InChI=1S/C16H23N3O4S2/c1-17-15(21)12(8-11-6-4-3-5-7-11)19-16(22)13(10-25(2)23)18-14(20)9-24/h3-7,12-13,24H,8-10H2,1-2H3,(H,17,21)(H,18,20)(H,19,22)/t12-,13-,25?/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 480n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Matrix metalloproteinase-8 (MMP-8) in adjuvant arthritic rat model of rheumatoid arthritis


Bioorg Med Chem Lett 7: 897-902 (1997)

More data for this
Ligand-Target Pair