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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Macrophage metalloelastase' and Ligand = 'BDBM50466697'   
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
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50466697
PNG
(CHEMBL4294130)
Show SMILES CO[C@@H]1O[C@H](CN([C@H](C(C)C)C(O)=O)S(=O)(=O)c2ccc(cc2)-c2ccccc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C30H37NO12S/c1-17(2)25(29(35)36)31(44(37,38)23-14-12-22(13-15-23)21-10-8-7-9-11-21)16-24-26(40-18(3)32)27(41-19(4)33)28(42-20(5)34)30(39-6)43-24/h7-15,17,24-28,30H,16H2,1-6H3,(H,35,36)/t24-,25-,26-,27+,28-,30-/m1/s1
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MMDB

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n/an/a 84n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP12 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ad...

Bioorg Med Chem 26: 5804-5815 (2018)


Article DOI: 10.1016/j.bmc.2018.10.024
BindingDB Entry DOI: 10.7270/Q2SN0CPT
More data for this
Ligand-Target Pair