BindingDB logo
myBDB logout

BDBM339922 (3S)-1-[(trans-4-{(1S)-1-[(tert-Butoxycarbonyl)amino]-2-fluoroethyl}cyclohexyl)carbonyl]-3-cyclohexyl-N-{2-[(dimethylsulfamoyl)carbamoyl]-1-benzofuran-5-yl}-L-prolinamide::US9758480, 187

SMILES: CO[C@H]1CCC(CC1)[C@@H]1CCN([C@@H]1C(=O)Nc1ccc2oc(C(O)=O)c(Cl)c2c1)C(=O)[C@H]1CC[C@@H](CC1)[C@H](N)CF

InChI Key: InChIKey=LFHMQEHQWXCRSN-NMJBRDEWSA-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 = 339922   
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))
BDBM339922
PNG
((3S)-1-[(trans-4-{(1S)-1-[(tert-Butoxycarbonyl)ami...)
Show SMILES CO[C@H]1CCC(CC1)[C@@H]1CCN([C@@H]1C(=O)Nc1ccc2oc(C(O)=O)c(Cl)c2c1)C(=O)[C@H]1CC[C@@H](CC1)[C@H](N)CF
Show InChI InChI=1S/C30H39ClFN3O6/c1-40-20-9-6-16(7-10-20)21-12-13-35(29(37)18-4-2-17(3-5-18)23(33)15-32)26(21)28(36)34-19-8-11-24-22(14-19)25(31)27(41-24)30(38)39/h8,11,14,16-18,20-21,23,26H,2-7,9-10,12-13,15,33H2,1H3,(H,34,36)(H,38,39)/t16?,17-,18-,20-,21-,23+,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 285n/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