BDBM45634 3-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester::3-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]benzoic acid isopropyl ester::MLS000707286::SMR000288751::cid_599970::propan-2-yl 3-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]benzoate::propan-2-yl 3-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoate

SMILES CC(C)OC(=O)c1cccc(NC(=O)CSc2nnc(N)s2)c1

InChI Key InChIKey=KAVLQPKLORUJNG-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 45634   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45634BDBM45634(propan-2-yl 3-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)...)
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