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BDBM50292698 (1R,2S)-ethyl 2-(hydroxycarbamoyl)-1-(4-((2-isobutylquinolin-4-yl)methoxy)benzyl)cyclopropanecarboxylate::CHEMBL495747

SMILES: CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(CC(C)C)nc4ccccc34)cc2)C[C@@H]1C(=O)NO

InChI Key: InChIKey=QNHYWOQVUXWWKX-YWEHKCAJSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50292698   
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
ADAM17


(Homo sapiens (Human))
BDBM50292698
PNG
((1R,2S)-ethyl 2-(hydroxycarbamoyl)-1-(4-((2-isobut...)
Show SMILES CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(CC(C)C)nc4ccccc34)cc2)C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C28H32N2O5/c1-4-34-27(32)28(16-24(28)26(31)30-33)15-19-9-11-22(12-10-19)35-17-20-14-21(13-18(2)3)29-25-8-6-5-7-23(20)25/h5-12,14,18,24,33H,4,13,15-17H2,1-3H3,(H,30,31)/t24-,28+/m1/s1
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PC cid
PC sid
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Article
PubMed
18n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TACE


Bioorg Med Chem Lett 18: 5809-14 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.045
BindingDB Entry DOI: 10.7270/Q2N29WZX
More data for this
Ligand-Target Pair