BDBM45705 ((S)-1-{5-[(2,4-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-[1,3,4]oxadiazol-2-yl}-ethyl)-carbamic acid tert-butyl ester::MLS000333340::N-[(1S)-1-[5-[[2-(2,4-dimethylanilino)-2-keto-ethyl]thio]-1,3,4-oxadiazol-2-yl]ethyl]carbamic acid tert-butyl ester::N-[(1S)-1-[5-[[2-(2,4-dimethylanilino)-2-oxoethyl]thio]-1,3,4-oxadiazol-2-yl]ethyl]carbamic acid tert-butyl ester::SMR000436686::cid_7481717::tert-butyl N-[(1S)-1-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate::tert-butyl N-[(1S)-1-[5-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate

SMILES C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2ccc(C)cc2C)o1

InChI Key InChIKey=QAOSLTWUJHWIJI-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 45705   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45705BDBM45705(cid_7481717 | tert-butyl N-[(1S)-1-[5-[2-[(2,4-dim...)
Affinity DataIC50: 5.00E+4nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2011
Entry Details
PCBioAssay