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BDBM204916 US9260454, 81

SMILES: C[C@H]1CN(C[C@@H](C)O1)C(=O)n1sc2[n+]([O-])cccc2c1=O

InChI Key: InChIKey=MIEIZXDJFNCBAJ-DTORHVGOSA-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 = 204916   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM204916
PNG
(US9260454, 81)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)n1sc2[n+]([O-])cccc2c1=O
Show InChI InChI=1S/C13H15N3O4S/c1-8-6-14(7-9(2)20-8)13(18)16-11(17)10-4-3-5-15(19)12(10)21-16/h3-5,8-9H,6-7H2,1-2H3/t8-,9+
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.90E+3n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 m...


US Patent US9260454 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43VV
More data for this
Ligand-Target Pair