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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM339919'   
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))
BDBM339919
PNG
(Cyclopentylmethyl 5-{[(3S)-1-[(trans-4-{(1S)-1-[(t...)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H32F2N4O4/c30-15-23(32)17-1-3-18(4-2-17)28(37)35-12-11-22(16-5-7-20(31)8-6-16)26(35)27(36)33-21-9-10-24-19(13-21)14-25(34-24)29(38)39/h5-10,13-14,17-18,22-23,26,34H,1-4,11-12,15,32H2,(H,33,36)(H,38,39)/t17-,18-,22-,23-,26+/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 33n/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