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BDBM335409 US10717738, Example 309::US9732085, 309::methyl[4-(2-{(3S)-7-[5-methyl-2-(1H-tetrazol-1-yl)phenyl]-5-oxo-1,2,3,5-tetrahydro-3-indolizinyl}-1H-imidazol-5-yl)phenyl]carbamate

SMILES: COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCc2cc(cc(=O)n12)-c1cc(C)ccc1-n1cnnn1

InChI Key: InChIKey=CRVBQXTYVJQCPM-DEOSSOPVSA-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 = 335409   
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))
BDBM335409
PNG
(US10717738, Example 309 | US9732085, 309 | methyl[...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCc2cc(cc(=O)n12)-c1cc(C)ccc1-n1cnnn1
Show InChI InChI=1S/C27H24N8O3/c1-16-3-9-23(34-15-29-32-33-34)21(11-16)18-12-20-8-10-24(35(20)25(36)13-18)26-28-14-22(31-26)17-4-6-19(7-5-17)30-27(37)38-2/h3-7,9,11-15,24H,8,10H2,1-2H3,(H,28,31)(H,30,37)/t24-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 8.30n/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))
BDBM335409
PNG
(US10717738, Example 309 | US9732085, 309 | methyl[...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCc2cc(cc(=O)n12)-c1cc(C)ccc1-n1cnnn1
Show InChI InChI=1S/C27H24N8O3/c1-16-3-9-23(34-15-29-32-33-34)21(11-16)18-12-20-8-10-24(35(20)25(36)13-18)26-28-14-22(31-26)17-4-6-19(7-5-17)30-27(37)38-2/h3-7,9,11-15,24H,8,10H2,1-2H3,(H,28,31)(H,30,37)/t24-/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 8.30n/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