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BDBM50409261 CHEMBL88979

SMILES: CC(C)C[C@@H]1[C@H](CCCOc2ccc(C[C@H](NC1=O)C(=O)NCC(=O)Nc1ccccc1)cc2)C(=O)NO

InChI Key: InChIKey=ITQMTHIQRRIASY-VXNXHJTFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50409261   
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))
BDBM50409261
PNG
(CHEMBL88979)
Show SMILES CC(C)C[C@@H]1[C@H](CCCOc2ccc(C[C@H](NC1=O)C(=O)NCC(=O)Nc1ccccc1)cc2)C(=O)NO
Show InChI InChI=1S/C28H36N4O6/c1-18(2)15-23-22(27(35)32-37)9-6-14-38-21-12-10-19(11-13-21)16-24(31-26(23)34)28(36)29-17-25(33)30-20-7-4-3-5-8-20/h3-5,7-8,10-13,18,22-24,37H,6,9,14-17H2,1-2H3,(H,29,36)(H,30,33)(H,31,34)(H,32,35)/t22-,23+,24-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 200n/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