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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50076354'   
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-1


(Homo sapiens (Human))
BDBM50076354
PNG
(1-[(S)-1-Benzyl-2-(4-benzyl-piperazin-1-yl)-2-oxo-...)
Show SMILES Sc1nnc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccccc3)CC2)s1
Show InChI InChI=1S/C23H26N6O2S2/c30-20(29-13-11-28(12-14-29)16-18-9-5-2-6-10-18)19(15-17-7-3-1-4-8-17)24-21(31)25-22-26-27-23(32)33-22/h1-10,19H,11-16H2,(H,27,32)(H2,24,25,26,31)/t19-/m0/s1
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Similars

Article
PubMed
860n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity for matrix metalloproteinase-3


J Med Chem 42: 1525-36 (1999)


Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4
More data for this
Ligand-Target Pair