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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-3' and Ligand = 'BDBM50078948'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Stromelysin-3


(Mus musculus)
BDBM50078948
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCc1ccc2ccccc2c1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C42H43N4O6P/c43-40(47)38(25-35-26-44-37-18-10-9-17-36(35)37)45-41(48)34(22-20-30-19-21-32-15-7-8-16-33(32)23-30)28-53(50,51)39(24-29-11-3-1-4-12-29)46-42(49)52-27-31-13-5-2-6-14-31/h1-19,21,23,26,34,38-39,44H,20,22,24-25,27-28H2,(H2,43,47)(H,45,48)(H,46,49)(H,50,51)
PDB
MMDB

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PC sid
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Similars

Article
PubMed
12n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair