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BDBM341277 6-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyridin-1(2H)-yl]-3-cyclobutylpropanoyl}-amino)imidazo[1,2-a]pyridine-2-carboxylic acid (racemate)::US9765070, Example 5

SMILES: COc1cn(C(CC2CCC2)C(=O)Nc2ccc3nc(cn3c2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N

InChI Key: InChIKey=QPLOFYKBIFMXBX-UHFFFAOYSA-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 = 341277   
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
Plasma kallikrein


(Homo sapiens (Human))
BDBM341277
PNG
(6-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES COc1cn(C(CC2CCC2)C(=O)Nc2ccc3nc(cn3c2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C28H24ClN5O5/c1-39-24-15-34(26(35)11-21(24)20-10-18(29)6-5-17(20)12-30)23(9-16-3-2-4-16)27(36)31-19-7-8-25-32-22(28(37)38)14-33(25)13-19/h5-8,10-11,13-16,23H,2-4,9H2,1H3,(H,31,36)(H,37,38)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.10n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)


BindingDB Entry DOI: 10.7270/Q25D8TZT
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341277
PNG
(6-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES COc1cn(C(CC2CCC2)C(=O)Nc2ccc3nc(cn3c2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C28H24ClN5O5/c1-39-24-15-34(26(35)11-21(24)20-10-18(29)6-5-17(20)12-30)23(9-16-3-2-4-16)27(36)31-19-7-8-25-32-22(28(37)38)14-33(25)13-19/h5-8,10-11,13-16,23H,2-4,9H2,1H3,(H,31,36)(H,37,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)


BindingDB Entry DOI: 10.7270/Q25D8TZT
More data for this
Ligand-Target Pair