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SMILES: COC(=O)[C@@]1(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C[C@@H]1C(=O)NO

InChI Key: InChIKey=NUJFJWLOHBNAHZ-QRWLVFNGSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 23490   
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
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q]


(Homo sapiens (Human))		BDBM23490
PNG
(hydroxamate deriv., 81 | methyl (1R,2S)-1-({4-[(3,...)
Show SMILES COC(=O)[C@@]1(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C20H19Cl2NO5/c1-27-19(25)20(10-15(20)18(24)23-26)9-12-2-5-14(6-3-12)28-11-13-4-7-16(21)17(22)8-13/h2-8,15,26H,9-11H2,1H3,(H,23,24)/t15-,20+/m1/s1
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Article
PubMed
 130n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ...

J Med Chem 51: 725-36 (2008)


Article DOI: 10.1021/jm070376o
BindingDB Entry DOI: 10.7270/Q2Q23XKR
More data for this
Ligand-Target Pair