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

InChI Key: InChIKey=LXJCNSMDGYASPQ-GMONCZTGSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50070231   
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))		BDBM50070231
PNG
(2-(1-Hydroxy-2-mercapto-ethyl)-nonanoic acid [(S)-...)
Show SMILES CCCCCCCC(C(O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NC(=O)C(CC(C)C)NCC
Show InChI InChI=1S/C25H49N3O4S/c1-7-9-10-11-12-13-19(22(29)16-33)23(30)27-21(15-18(5)6)25(32)28-24(31)20(26-8-2)14-17(3)4/h17-22,26,29,33H,7-16H2,1-6H3,(H,27,30)(H,28,31,32)/t19?,20?,21-,22?/m0/s1
PDB
MMDB

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n/an/a 210n/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