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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50101723'   
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
Collagenase 3


(Homo sapiens (Human))
BDBM50101723
PNG
((1,5-Dioxa-spiro[5.5]undec-9-yl)-((S)-4'-methoxy-b...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC2(CC1)OCCCO2)C(O)=O
Show InChI InChI=1S/C24H29NO7S/c1-30-20-7-3-17(4-8-20)18-5-9-21(10-6-18)33(28,29)25-22(23(26)27)19-11-13-24(14-12-19)31-15-2-16-32-24/h3-10,19,22,25H,2,11-16H2,1H3,(H,26,27)/t22-/m1/s1
PDB
MMDB

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Similars

PubMed
n/an/a 36n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13


Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair