BDBM50409279 CHEMBL92546

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

InChI Key: InChIKey=FKXCWQZPUJRQQO-OTWHNJEPSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50409279   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50409279 (CHEMBL92546) Show SMILES CC(C)C[C@@H]1[C@H](CCCOc2ccc(C[C@H](NC1=O)C(=O)NCC(=O)NCC(F)(F)F)cc2)C(=O)NO Show InChI InChI=1S/C24H33F3N4O6/c1-14(2)10-18-17(22(34)31-36)4-3-9-37-16-7-5-15(6-8-16)11-19(30-21(18)33)23(35)28-12-20(32)29-13-24(25,26)27/h5-8,14,17-19,36H,3-4,9-13H2,1-2H3,(H,28,35)(H,29,32)(H,30,33)(H,31,34)/t17-,18+,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2FB53NR
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