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BDBM339894 5-[(2S,3R)-1-{trans-4-[1-(tert-Butoxycarbonylamino)ethyl]cyclohexanecarbonyl}-3-phenylpyrrolidine-2-carboxamide]-1-benzofuran-2-carboxylic acid::US9758480, 46

SMILES: CC(N)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2oc(cc2c1)C(O)=O)c1ccccc1

InChI Key: InChIKey=UDCNLRXAJYRYBT-NPGVDRKYSA-N

Data: 1 IC50

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   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 = 339894   
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))
BDBM339894
PNG
(5-[(2S,3R)-1-{trans-4-[1-(tert-Butoxycarbonylamino...)
Show SMILES CC(N)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2oc(cc2c1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C29H33N3O5/c1-17(30)18-7-9-20(10-8-18)28(34)32-14-13-23(19-5-3-2-4-6-19)26(32)27(33)31-22-11-12-24-21(15-22)16-25(37-24)29(35)36/h2-6,11-12,15-18,20,23,26H,7-10,13-14,30H2,1H3,(H,31,33)(H,35,36)/t17?,18-,20-,23-,26+/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 90n/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