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BDBM298336 US10123995, Example 14

SMILES: OC(=O)c1ccc(NC(=O)C2(O)C[C@H](F)c3cc(cnc23)-c2cc(Cl)ccc2-n2cnnn2)cc1

InChI Key: InChIKey=VDZBJKMWKAGNPT-KJKIJIEVNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 298336   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor XI


(Homo sapiens (Human))
BDBM298336
PNG
(US10123995, Example 14)
Show SMILES OC(=O)c1ccc(NC(=O)C2(O)C[C@H](F)c3cc(cnc23)-c2cc(Cl)ccc2-n2cnnn2)cc1
Show InChI InChI=1/C23H16ClFN6O4/c24-14-3-6-19(31-11-27-29-30-31)16(8-14)13-7-17-18(25)9-23(35,20(17)26-10-13)22(34)28-15-4-1-12(2-5-15)21(32)33/h1-8,10-11,18,35H,9H2,(H,28,34)(H,32,33)/t18-,23?/s2
PDB
MMDB

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PC cid
PC sid
UniChem
Article
US Patent
n/an/a 219n/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 US10123995 (2018)


Article DOI: 10.1016/j.bmcl.2005.01.023
BindingDB Entry DOI: 10.7270/Q2FT8P3K
More data for this
Ligand-Target Pair