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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 = 'BDBM339891'   
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))
BDBM339891
PNG
(5-[(2S,3S)-1-{trans-4-[1-(tert-Butoxycarbonyl)amin...)
Show SMILES Cc1c([nH]c2ccc(NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@H]3CC[C@@H](CC3)C(N)CF)C3CCCCC3)cc12)C(O)=O
Show InChI InChI=1S/C30H41FN4O4/c1-17-23-15-21(11-12-25(23)34-26(17)30(38)39)33-28(36)27-22(18-5-3-2-4-6-18)13-14-35(27)29(37)20-9-7-19(8-10-20)24(32)16-31/h11-12,15,18-20,22,24,27,34H,2-10,13-14,16,32H2,1H3,(H,33,36)(H,38,39)/t19-,20-,22-,24?,27-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
US Patent
n/an/a 63n/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
More data for this
Ligand-Target Pair