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BDBM339874 5-{cis-1-[trans-4-(Aminomethyl)cyclohexanecarbonyl]-N-methyl-3-phenylpyrrolidine-2-carboxamide}-1H-indole-2-carboxylic acid trifluoroacetate::US9758480, 5

SMILES: CN(C(=O)C1C(CCN1C(=O)[C@H]1CC[C@H](CN)CC1)c1ccccc1)c1ccc2[nH]c(cc2c1)C(O)=O

InChI Key: InChIKey=FIVJTYOIQLOTOW-APYKVSSYSA-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 = 339874   
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))
BDBM339874
PNG
(5-{cis-1-[trans-4-(Aminomethyl)cyclohexanecarbonyl...)
Show SMILES CN(C(=O)C1C(CCN1C(=O)[C@H]1CC[C@H](CN)CC1)c1ccccc1)c1ccc2[nH]c(cc2c1)C(O)=O
Show InChI InChI=1S/C29H34N4O4/c1-32(22-11-12-24-21(15-22)16-25(31-24)29(36)37)28(35)26-23(19-5-3-2-4-6-19)13-14-33(26)27(34)20-9-7-18(17-30)8-10-20/h2-6,11-12,15-16,18,20,23,26,31H,7-10,13-14,17,30H2,1H3,(H,36,37)/t18-,20-,23?,26?
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 125n/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