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BDBM339898 US9758480, 96

SMILES: N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc(cc1)C(O)=O)C1CCCCC1

InChI Key: InChIKey=RACAQBKNSMRVIU-DMSJUAPBNA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 339898   
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
Coagulation factor XI


(Homo sapiens (Human))
BDBM339898
PNG
(US9758480, 96)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc(cc1)C(O)=O)C1CCCCC1
Show InChI InChI=1/C27H38FN3O4/c28-16-23(29)18-6-8-19(9-7-18)26(33)31-15-14-22(17-4-2-1-3-5-17)24(31)25(32)30-21-12-10-20(11-13-21)27(34)35/h10-13,17-19,22-24H,1-9,14-16,29H2,(H,30,32)(H,34,35)/t18-,19-,22-,23+,24-/s2
PDB
MMDB

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PC cid
PC sid
UniChem
Article
US Patent
n/an/a 98n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2D50Q33
More data for this
Ligand-Target Pair