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SMILES: CCCCCCCC(C(O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C

InChI Key: InChIKey=QTXQZEVSCFUJCN-YMAMQOFZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50070248   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Stromelysin-1


(Homo sapiens (Human))		BDBM50070248
PNG
(2-(1-Hydroxy-2-mercapto-ethyl)-nonanoic acid ((S)-...)
Show SMILES CCCCCCCC(C(O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C
Show InChI InChI=1S/C18H36N2O3S/c1-6-7-8-9-10-11-13(14(21)12-24)16(22)20-15(17(23)19-5)18(2,3)4/h13-15,21,24H,6-12H2,1-5H3,(H,19,23)(H,20,22)/t13?,14?,15-/m1/s1
PDB
MMDB

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n/an/a 120n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against stromelysin-3 (MMP-3)

Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair