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BDBM339920 US9758480, 184::tert-Butyl [(1S)-1-(trans-4-{[(2S,3S)-3-cyclohexyl-2-({2-[(dimethylsulfamoyl)carbamoyl]-1H-indol-5-yl}carbamoyl)pyrrolidin-1-yl]carbonyl}cyclohexyl)-2-fluoroethyl]carbamate

SMILES: N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(C(O)=O)c(Cl)c2c1)C1CCCCC1

InChI Key: InChIKey=PAGIFZFMACVJOK-QBDWCWEBSA-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 = 339920   
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))
BDBM339920
PNG
(US9758480, 184 | tert-Butyl [(1S)-1-(trans-4-{[(2S...)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(C(O)=O)c(Cl)c2c1)C1CCCCC1
Show InChI InChI=1S/C29H38ClFN4O4/c30-24-21-14-19(10-11-23(21)34-25(24)29(38)39)33-27(36)26-20(16-4-2-1-3-5-16)12-13-35(26)28(37)18-8-6-17(7-9-18)22(32)15-31/h10-11,14,16-18,20,22,26,34H,1-9,12-13,15,32H2,(H,33,36)(H,38,39)/t17-,18-,20-,22+,26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 30n/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