BindingDB logo
myBDB logout

BDBM339925 Tetrahydro-2H-pyran-4-ylmethyl 5-{[(3S)-1-[(trans-4-{(1S)-1-[(tert-butoxycarbonyl)amino]-2-fluoroethyl}cyclohexyl)carbonyl]-3-(trans-4-methoxycyclohexyl)-L-prolyl]amino}-1-benzofuran-2-carboxylate::US9758480, 211

SMILES: CN(C)S(=O)(=O)NC(=O)c1cc2cc(NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@H]3CC[C@@H](CC3)[C@H](N)CF)C3CCCCC3)ccc2o1

InChI Key: InChIKey=HZGLDAZBGWMTFY-OSBNOMTHSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 339925   
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))
BDBM339925
PNG
(Tetrahydro-2H-pyran-4-ylmethyl 5-{[(3S)-1-[(trans-...)
Show SMILES CN(C)S(=O)(=O)NC(=O)c1cc2cc(NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@H]3CC[C@@H](CC3)[C@H](N)CF)C3CCCCC3)ccc2o1
Show InChI InChI=1S/C31H44FN5O6S/c1-36(2)44(41,42)35-29(38)27-17-22-16-23(12-13-26(22)43-27)34-30(39)28-24(19-6-4-3-5-7-19)14-15-37(28)31(40)21-10-8-20(9-11-21)25(33)18-32/h12-13,16-17,19-21,24-25,28H,3-11,14-15,18,33H2,1-2H3,(H,34,39)(H,35,38)/t20-,21-,24-,25+,28-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 29n/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