BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM413864'   
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))
BDBM413864
PNG
((2S)-2-{4-[5-Chloro-2-(4-chloro-1H-1,2,3-triazol-1...)
Show SMILES COc1cn([C@@H](CC(F)F)C(=O)Nc2ccc3nccnc3c2)c(=O)cc1-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
Show InChI InChI=1S/C26H19Cl2F2N7O3/c1-40-22-12-36(21(11-24(29)30)26(39)33-15-3-4-18-19(9-15)32-7-6-31-18)25(38)10-17(22)16-8-14(27)2-5-20(16)37-13-23(28)34-35-37/h2-10,12-13,21,24H,11H2,1H3,(H,33,39)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.850n/an/an/an/an/an/a


TBA

Assay Description
FXIa: Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting fin...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W09935
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413864
PNG
((2S)-2-{4-[5-Chloro-2-(4-chloro-1H-1,2,3-triazol-1...)
Show SMILES COc1cn([C@@H](CC(F)F)C(=O)Nc2ccc3nccnc3c2)c(=O)cc1-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
Show InChI InChI=1S/C26H19Cl2F2N7O3/c1-40-22-12-36(21(11-24(29)30)26(39)33-15-3-4-18-19(9-15)32-7-6-31-18)25(38)10-17(22)16-8-14(27)2-5-20(16)37-13-23(28)34-35-37/h2-10,12-13,21,24H,11H2,1H3,(H,33,39)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.850n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The factor XIa inhibition of the substances according to the invention is determined using a biochemical test system which utilizes the reaction of a...


US Patent US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair