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SMILES: CCOC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1

InChI Key: InChIKey=QOKVSISTOJSNTA-DEOSSOPVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50026708   
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
Collagenase 3


(Homo sapiens (Human))		BDBM50026708
PNG
(CHEMBL1940299)
Show SMILES CCOC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:18.19,(-10.47,-10.06,;-9.13,-9.29,;-7.79,-10.07,;-6.45,-9.3,;-6.45,-7.76,;-5.12,-10.08,;-3.78,-9.32,;-2.45,-10.1,;-2.46,-11.63,;-1.13,-12.41,;.21,-11.65,;.22,-10.11,;1.56,-9.34,;2.89,-10.13,;2.88,-11.66,;1.55,-12.43,;4.23,-9.37,;5.57,-8.61,;6.88,-7.82,;6.86,-9.34,;6.86,-6.29,;8.17,-5.52,;10.29,-5.94,;10.33,-8.12,;8.2,-8.56,;9.5,-7.78,;9.48,-6.28,;-3.79,-12.4,;-5.12,-11.63,)|
Show InChI InChI=1S/C24H25NO4/c1-2-28-23(26)19-5-9-22(10-6-19)29-21-7-3-18(4-8-21)11-14-24(27)17-25-15-12-20(24)13-16-25/h3-10,20,27H,2,12-13,15-17H2,1H3/t24-/m0/s1
PDB
MMDB

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Similars
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP13 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis

Bioorg Med Chem Lett 22: 271-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.034
BindingDB Entry DOI: 10.7270/Q20R9PTN
More data for this
Ligand-Target Pair