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BDBM50409222 CHEMBL314427

SMILES: CC(C)C[C@@H]1[C@H](CCCOc2ccc(C[C@H](NC1=O)C(=O)NCC(F)(F)F)cc2)C(=O)NO

InChI Key: InChIKey=PNLMWJPYDPWVER-KSZLIROESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50409222   
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))
BDBM50409222
PNG
(CHEMBL314427)
Show SMILES CC(C)C[C@@H]1[C@H](CCCOc2ccc(C[C@H](NC1=O)C(=O)NCC(F)(F)F)cc2)C(=O)NO
Show InChI InChI=1S/C22H30F3N3O5/c1-13(2)10-17-16(20(30)28-32)4-3-9-33-15-7-5-14(6-8-15)11-18(27-19(17)29)21(31)26-12-22(23,24)25/h5-8,13,16-18,32H,3-4,9-12H2,1-2H3,(H,26,31)(H,27,29)(H,28,30)/t16-,17+,18-/m0/s1
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a 680n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of LPS-stimulated TNF-alpha release in human whole blood


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair