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BDBM339893 5-[(2S,3S)-1-{trans-4-[1-(tert-Butoxycarbonyl)amino-2-fluoroethyl]cyclohexanecarbonyl}-3-cyclohexylpyrrolidine-2-carboxamide]-3-fluoro-1H-indole-2-carboxylic acid::US9758480, 40

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

InChI Key: InChIKey=WHHZQBKYMCBTKA-YTYUONTJSA-N

Data: 1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 339893   
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))
BDBM339893
PNG
(5-[(2S,3S)-1-{trans-4-[1-(tert-Butoxycarbonyl)amin...)
Show SMILES NC(CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(C(O)=O)c(F)c2c1)C1CCCCC1
Show InChI InChI=1S/C29H38F2N4O4/c30-15-22(32)17-6-8-18(9-7-17)28(37)35-13-12-20(16-4-2-1-3-5-16)26(35)27(36)33-19-10-11-23-21(14-19)24(31)25(34-23)29(38)39/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 45n/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
More data for this
Ligand-Target Pair