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SMILES: CC#CCOc1ccc(cc1)S(=O)(=O)N(C)c1c(ccc(Br)c1C(=O)NO)N1CCN(C)CC1

InChI Key: InChIKey=AVPJZTNLOKMJMG-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50247821   
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


(Homo sapiens (Human))		BDBM50247821
PNG
(6-bromo-2-(4-(but-2-ynyloxy)-N-methylphenylsulfona...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(C)c1c(ccc(Br)c1C(=O)NO)N1CCN(C)CC1
Show InChI InChI=1S/C23H27BrN4O5S/c1-4-5-16-33-17-6-8-18(9-7-17)34(31,32)27(3)22-20(28-14-12-26(2)13-15-28)11-10-19(24)21(22)23(29)25-30/h6-11,30H,12-16H2,1-3H3,(H,25,29)
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MMDB

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n/an/a 25n/an/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Inhibition of TACE

Bioorg Med Chem 17: 444-59 (2009)


Article DOI: 10.1016/j.bmc.2008.11.067
BindingDB Entry DOI: 10.7270/Q2WH2QWZ
More data for this
Ligand-Target Pair