new BindingDB logo
myBDB logout

BDBM238269 US9394250, 111

SMILES: CS(=O)(=O)N1CCC(CC1)[C@H]1C[C@H](N(C1)C(=O)c1ccc(cc1)C(N)=N)C(=O)Nc1ccc(cc1)C(O)=O

InChI Key: InChIKey=LOVXZJUAOSVIPH-UNMCSNQZSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 238269   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM238269
PNG
(US9394250, 111)
Show SMILES CS(=O)(=O)N1CCC(CC1)[C@H]1C[C@H](N(C1)C(=O)c1ccc(cc1)C(N)=N)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H31N5O6S/c1-38(36,37)30-12-10-16(11-13-30)20-14-22(24(32)29-21-8-6-19(7-9-21)26(34)35)31(15-20)25(33)18-4-2-17(3-5-18)23(27)28/h2-9,16,20,22H,10-15H2,1H3,(H3,27,28)(H,29,32)(H,34,35)/t20-,22-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Human Factor Xa (American Diagnostica Inc.) and human thrombin (Sigma) activities were measured at the enzyme concentrations of 0.18 U/mL and 0.12 U/...


US Patent US9394250 (2016)


BindingDB Entry DOI: 10.7270/Q2222SP5
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM238269
PNG
(US9394250, 111)
Show SMILES CS(=O)(=O)N1CCC(CC1)[C@H]1C[C@H](N(C1)C(=O)c1ccc(cc1)C(N)=N)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H31N5O6S/c1-38(36,37)30-12-10-16(11-13-30)20-14-22(24(32)29-21-8-6-19(7-9-21)26(34)35)31(15-20)25(33)18-4-2-17(3-5-18)23(27)28/h2-9,16,20,22H,10-15H2,1H3,(H3,27,28)(H,29,32)(H,34,35)/t20-,22-/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 8.5n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Human Factor XIa (Haematologic Technologies Inc.) activity was measured at an enzyme concentration of 0.1 U/mL in 150 mM NaCl, 5 mM KCl, 1 mg/mL PEG6...


US Patent US9394250 (2016)


BindingDB Entry DOI: 10.7270/Q2222SP5
More data for this
Ligand-Target Pair