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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50057046'   
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))
BDBM50057046
PNG
((2S,4R)-2-Butyl-6-(2'-tert-butylsulfamoyl-biphenyl...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(C)(C)C)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C34H51N3O6S/c1-9-10-13-26(32(40)41)22-25(30(38)36-29(31(39)35-8)33(2,3)4)21-18-23-16-19-24(20-17-23)27-14-11-12-15-28(27)44(42,43)37-34(5,6)7/h11-12,14-17,19-20,25-26,29,37H,9-10,13,18,21-22H2,1-8H3,(H,35,39)(H,36,38)(H,40,41)/t25-,26+,29-/m1/s1
PDB
MMDB

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PC cid
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Article
PubMed
10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)


J Med Chem 40: 1026-40 (1997)


Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR
More data for this
Ligand-Target Pair