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BDBM50082227 (2R,3S)-2-Benzothiazol-2-ylmethyl-N*1*-((S)-1-carbamoyl-2-phenyl-ethyl)-3,N*4*-dihydroxy-succinamide::CHEMBL110667

SMILES: NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1nc2ccccc2s1)[C@H](O)C(=O)NO

InChI Key: InChIKey=MZPHSEVZVLKPSW-XUWXXGDYSA-N

Data: 2 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 2 hits for monomerid = 50082227   
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
Immunoglobulin epsilon Fc receptor


(Homo sapiens (Human))
BDBM50082227
PNG
((2R,3S)-2-Benzothiazol-2-ylmethyl-N*1*-((S)-1-carb...)
Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1nc2ccccc2s1)[C@H](O)C(=O)NO
Show InChI InChI=1S/C21H22N4O5S/c22-19(27)15(10-12-6-2-1-3-7-12)24-20(28)13(18(26)21(29)25-30)11-17-23-14-8-4-5-9-16(14)31-17/h1-9,13,15,18,26,30H,10-11H2,(H2,22,27)(H,24,28)(H,25,29)/t13-,15+,18+/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 320n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against IgE receptor


Bioorg Med Chem Lett 9: 3165-70 (1999)


BindingDB Entry DOI: 10.7270/Q2MK6C37
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50082227
PNG
((2R,3S)-2-Benzothiazol-2-ylmethyl-N*1*-((S)-1-carb...)
Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1nc2ccccc2s1)[C@H](O)C(=O)NO
Show InChI InChI=1S/C21H22N4O5S/c22-19(27)15(10-12-6-2-1-3-7-12)24-20(28)13(18(26)21(29)25-30)11-17-23-14-8-4-5-9-16(14)31-17/h1-9,13,15,18,26,30H,10-11H2,(H2,22,27)(H,24,28)(H,25,29)/t13-,15+,18+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 500n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloproteinase(MMP-1)


Bioorg Med Chem Lett 9: 3165-70 (1999)


BindingDB Entry DOI: 10.7270/Q2MK6C37
More data for this
Ligand-Target Pair