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BDBM335402 US10717738, Example 230::US9732085, 230::methyl[6-(4-chloro-2-{(3S)-7-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]-5-oxo-1,2,3,5-tetrahydro-3-indolizinyl}-1H-imidazol-5-yl)-3-pyridinyl]carbamate

SMILES: COC(=O)Nc1ccc(nc1)-c1[nH]c(nc1Cl)[C@@H]1CCc2cc(cc(=O)n12)-c1cc(Cl)ccc1-n1cnnn1

InChI Key: InChIKey=ZZPJVXMVLMWESQ-FQEVSTJZSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 335402   
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))
BDBM335402
PNG
(US10717738, Example 230 | US9732085, 230 | methyl[...)
Show SMILES COC(=O)Nc1ccc(nc1)-c1[nH]c(nc1Cl)[C@@H]1CCc2cc(cc(=O)n12)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C25H19Cl2N9O3/c1-39-25(38)30-15-3-5-18(28-11-15)22-23(27)32-24(31-22)20-7-4-16-8-13(9-21(37)36(16)20)17-10-14(26)2-6-19(17)35-12-29-33-34-35/h2-3,5-6,8-12,20H,4,7H2,1H3,(H,30,38)(H,31,32)/t20-/m0/s1
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PC cid
PC sid
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US Patent
n/an/a 11n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Human Factor XIa activity was measured at an enzyme concentration of 0.1 U/mL in 150 mM NaCl, 5 mM KCl, 1 mg/mL PEG6000, 50 mM HEPES-NaOH (pH7.4) wit...


US Patent US10717738 (2020)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM335402
PNG
(US10717738, Example 230 | US9732085, 230 | methyl[...)
Show SMILES COC(=O)Nc1ccc(nc1)-c1[nH]c(nc1Cl)[C@@H]1CCc2cc(cc(=O)n12)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C25H19Cl2N9O3/c1-39-25(38)30-15-3-5-18(28-11-15)22-23(27)32-24(31-22)20-7-4-16-8-13(9-21(37)36(16)20)17-10-14(26)2-6-19(17)35-12-29-33-34-35/h2-3,5-6,8-12,20H,4,7H2,1H3,(H,30,38)(H,31,32)/t20-/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 11n/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 US9732085 (2017)


BindingDB Entry DOI: 10.7270/Q25X2C2P
More data for this
Ligand-Target Pair