BDBM413809 4-{[(2S)-2-{4-[5-Chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-5-methoxy-2-oxopyridin-1(2H)-yl}pentanoyl]amino}-2-fluorobenzamide (Enantiomer 2)::US10421742, Example 202::US11180471, Example 202

SMILES CCC[C@@H](C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1

InChI Key InChIKey=KQZYQOJQXJGZMI-UHFFFAOYSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 413809   

TargetCoagulation factor XI(Human)
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM413809(US10421742, Example 202 | 4-{[(2S)-2-{4-[5-Chloro-...)
Affinity DataIC50: 1.70nMAssay Description:The factor XIa inhibition of the substances according to the invention is determined using a biochemical test system which utilizes the reaction of a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2020
Entry Details
Go to US Patent

TargetPlasma kallikrein(Human)
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM413809(US10421742, Example 202 | 4-{[(2S)-2-{4-[5-Chloro-...)
Affinity DataIC50: 9.80nMAssay Description:To determine the plasma kallikrein inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reac...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2020
Entry Details
Go to US Patent

TargetCoagulation factor XI(Human)
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM413809(US10421742, Example 202 | 4-{[(2S)-2-{4-[5-Chloro-...)
Affinity DataIC50: 1.70nMAssay Description:FXIa: Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting fin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/10/2022
Entry Details
Go to US Patent

TargetPlasma kallikrein(Human)
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM413809(US10421742, Example 202 | 4-{[(2S)-2-{4-[5-Chloro-...)
Affinity DataIC50: 9.80nMAssay Description:Plasma Kallikrein: Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/10/2022
Entry Details
Go to US Patent

TargetCoagulation factor XI(Human)
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM413809(US10421742, Example 202 | 4-{[(2S)-2-{4-[5-Chloro-...)
Affinity DataIC50: 1.70nMAssay Description:Inhibition of human FXIa using Boc-Glu(OBzl)-Ala-Arg-AMC as substrate measured for 30 mins by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed