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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 357065   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor XI


(Homo sapiens (Human))
BDBM357065
PNG
((S)-2-(24-(((2-(tert-butoxy)ethoxy)carbonyl)amino)...)
Show SMILES CC(C)(C)OCCOC(=O)Nc1ccc-2c(NC(=O)CCCC[C@@H](c3cccc-2c3)c2ccc(c[n+]2[O-])-c2c(F)ccc(Cl)c2F)c1 |r|
Show InChI InChI=1S/C36H36ClF2N3O5/c1-36(2,3)47-18-17-46-35(44)40-25-12-13-26-22-7-6-8-23(19-22)27(9-4-5-10-32(43)41-30(26)20-25)31-16-11-24(21-42(31)45)33-29(38)15-14-28(37)34(33)39/h6-8,11-16,19-21,27H,4-5,9-10,17-18H2,1-3H3,(H,40,44)(H,41,43)/t27-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.240n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...


US Patent US10214512 (2019)


BindingDB Entry DOI: 10.7270/Q2668GGN
More data for this
Ligand-Target Pair
Kallikrein-1


(Homo sapiens (Human))
BDBM357065
PNG
((S)-2-(24-(((2-(tert-butoxy)ethoxy)carbonyl)amino)...)
Show SMILES CC(C)(C)OCCOC(=O)Nc1ccc-2c(NC(=O)CCCC[C@@H](c3cccc-2c3)c2ccc(c[n+]2[O-])-c2c(F)ccc(Cl)c2F)c1 |r|
Show InChI InChI=1S/C36H36ClF2N3O5/c1-36(2,3)47-18-17-46-35(44)40-25-12-13-26-22-7-6-8-23(19-22)27(9-4-5-10-32(43)41-30(26)20-25)31-16-11-24(21-42(31)45)33-29(38)15-14-28(37)34(33)39/h6-8,11-16,19-21,27H,4-5,9-10,17-18H2,1-3H3,(H,40,44)(H,41,43)/t27-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.440n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10214512 (2019)


BindingDB Entry DOI: 10.7270/Q2668GGN
More data for this
Ligand-Target Pair