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BDBM246259 US10183932, Example 165::US9434690, 165::US9822102, Example 165

SMILES: COCCC(C(=O)Nc1ccc2c(c1)[nH]n(C)c2=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N

InChI Key:

Data: 6 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 6 hits for monomerid = 246259   
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))
BDBM246259
PNG
(US10183932, Example 165 | US9434690, 165 | US98221...)
Show SMILES COCCC(C(=O)Nc1ccc2c(c1)[nH]n(C)c2=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/an/an/an/a7.425



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 US9434690 (2016)


BindingDB Entry DOI: 10.7270/Q2K936FF
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM246259
PNG
(US10183932, Example 165 | US9434690, 165 | US98221...)
Show SMILES COCCC(C(=O)Nc1ccc2c(c1)[nH]n(C)c2=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8.20n/an/an/an/a7.425



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 US9434690 (2016)


BindingDB Entry DOI: 10.7270/Q2K936FF
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM246259
PNG
(US10183932, Example 165 | US9434690, 165 | US98221...)
Show SMILES COCCC(C(=O)Nc1ccc2c(c1)[nH]n(C)c2=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8.20n/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 US9822102 (2017)


BindingDB Entry DOI: 10.7270/Q2FN18G5
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM246259
PNG
(US10183932, Example 165 | US9434690, 165 | US98221...)
Show SMILES COCCC(C(=O)Nc1ccc2c(c1)[nH]n(C)c2=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8.20n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine the factor XIa inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reaction of...


US Patent US10183932 (2019)


BindingDB Entry DOI: 10.7270/Q23T9K99
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM246259
PNG
(US10183932, Example 165 | US9434690, 165 | US98221...)
Show SMILES COCCC(C(=O)Nc1ccc2c(c1)[nH]n(C)c2=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/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 US9822102 (2017)


BindingDB Entry DOI: 10.7270/Q2FN18G5
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM246259
PNG
(US10183932, Example 165 | US9434690, 165 | US98221...)
Show SMILES COCCC(C(=O)Nc1ccc2c(c1)[nH]n(C)c2=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine the factor XIa inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reaction of...


US Patent US10183932 (2019)


BindingDB Entry DOI: 10.7270/Q23T9K99
More data for this
Ligand-Target Pair