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BDBM339916 US9758480, 148

SMILES: COC(=O)Nc1nc2ccc(NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@H]3CC[C@@H](CC3)[C@H](N)CF)C3CCCCC3)cc2s1

InChI Key: InChIKey=RKLXWJNDAZIXGD-ATMZJQGESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 339916   
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))
BDBM339916
PNG
(US9758480, 148)
Show SMILES COC(=O)Nc1nc2ccc(NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@H]3CC[C@@H](CC3)[C@H](N)CF)C3CCCCC3)cc2s1
Show InChI InChI=1S/C29H40FN5O4S/c1-39-29(38)34-28-33-23-12-11-20(15-24(23)40-28)32-26(36)25-21(17-5-3-2-4-6-17)13-14-35(25)27(37)19-9-7-18(8-10-19)22(31)16-30/h11-12,15,17-19,21-22,25H,2-10,13-14,16,31H2,1H3,(H,32,36)(H,33,34,38)/t18-,19-,21-,22+,25-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 140n/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)

More data for this
Ligand-Target Pair