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BDBM339882 5-{(2S,3S)-1-[trans-4-(tert-Butoxycarbonylaminomethyl)cyclohexanecarbonyl]-3-phenylpyrrolidine-2-carboxamide}-1H-indole-2-carboxylic acid::US9758480, 23

SMILES: NC[C@H]1CC[C@@H](CC1)C(=O)N1CCC([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O)c1ccccc1

InChI Key: InChIKey=RMGZAGPFJRIDTR-DNXUSVNANA-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 = 339882   
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))
BDBM339882
PNG
(5-{(2S,3S)-1-[trans-4-(tert-Butoxycarbonylaminomet...)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N1CCC([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O)c1ccccc1
Show InChI InChI=1/C28H32N4O4/c29-16-17-6-8-19(9-7-17)27(34)32-13-12-22(18-4-2-1-3-5-18)25(32)26(33)30-21-10-11-23-20(14-21)15-24(31-23)28(35)36/h1-5,10-11,14-15,17,19,22,25,31H,6-9,12-13,16,29H2,(H,30,33)(H,35,36)/t17-,19-,22?,25-/s2
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MMDB

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PC cid
PC sid
UniChem
Article
US Patent
n/an/a 9n/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