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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 = 'BDBM339901'   
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))
BDBM339901
PNG
(US9758480, 103)
Show SMILES CO[C@H]1CCC(CC1)[C@@H]1CCN([C@@H]1C(=O)Nc1ccc2oc(cc2c1)C(O)=O)C(=O)[C@H]1CC[C@@H](CC1)[C@H](N)CF
Show InChI InChI=1S/C30H40FN3O6/c1-39-22-9-6-17(7-10-22)23-12-13-34(29(36)19-4-2-18(3-5-19)24(32)16-31)27(23)28(35)33-21-8-11-25-20(14-21)15-26(40-25)30(37)38/h8,11,14-15,17-19,22-24,27H,2-7,9-10,12-13,16,32H2,1H3,(H,33,35)(H,37,38)/t17?,18-,19-,22-,23-,24+,27-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 2.35E+3n/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