BDBM639346 2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothiophene-2-carbonyl)amino]-N-{2-ethyl-3-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]benzene-1-sulfonyl}-S-alaninate hydrochloride::US20230391761, Example 4::US20230391761, Reference 14

SMILES CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@@H](O)C1=O

InChI Key InChIKey=UHRIYOJEACOYON-UHFFFAOYSA-N

Data  17 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 639346   

TargetCoagulation factor X(Human)
Germany.F. Hoffmann-La Roche Ltd

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 639346BDBM639346(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Affinity DataIC50: 0.680nMAssay Description:Inhibition of human factor Xa in Tris buffer using Boc-Ile-Glu-GlyArg-AMC as substrate preincubated for 30 mins followed by substrate addition measur...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetCoagulation factor X(Human)
Germany.F. Hoffmann-La Roche Ltd

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 639346BDBM639346(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Affinity DataIC50: 0.680nMAssay Description:Determination of the Selectivity To demonstrate the selectivity of the substances with respect to thrombin and factor Xa inhibition, the test substan...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/28/2024
Entry Details
US Patent

TargetProthrombin(Human)
Bayer Aktiengesellschaft

US Patent
LigandChemical structure of BindingDB Monomer ID 639346BDBM639346(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Affinity DataIC50: 4.90nMAssay Description:Determination of the Selectivity To demonstrate the selectivity of the substances with respect to thrombin and factor Xa inhibition, the test substan...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/28/2024
Entry Details
US Patent

TargetProthrombin(Human)
Bayer Aktiengesellschaft

US Patent
LigandChemical structure of BindingDB Monomer ID 639346BDBM639346(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Affinity DataIC50: 4.90nMAssay Description:Inhibition of human factor IIa in Tris buffer using Boc-Asp(OBzl)-Pro-Arg-AMC as substrate preincubated for 15 mins followed by substrate addition me...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetCoagulation factor X(Human)
Germany.F. Hoffmann-La Roche Ltd

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 639346BDBM639346(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Affinity DataIC50: 6.60nMAssay Description:Inhibition of human factor Xa using Methoxycarbonyl-D-Nle-Gly-Arg-pNA as substrate measured for 20 mins in presence of human plasma by RVV reagent ba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetProthrombin(Human)
Bayer Aktiengesellschaft

US Patent
LigandChemical structure of BindingDB Monomer ID 639346BDBM639346(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Affinity DataIC50: 22nMAssay Description:Inhibition of human factor IIa using Boc-Val-Pro-Arg-AMC as substrate measured for 20 mins in presence of human plasma by ecarin reagent based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetKallikrein-1(Human)
Bayer Aktiengesellschaft

US Patent
LigandChemical structure of BindingDB Monomer ID 639346BDBM639346(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Affinity DataIC50: 520nMAssay Description:Determination of the Selectivity To demonstrate the selectivity of the substances with respect to thrombin and factor Xa inhibition, the test substan...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/28/2024
Entry Details
US Patent

TargetSerine protease 1(Human)
Bayer Aktiengesellschaft

US Patent
LigandChemical structure of BindingDB Monomer ID 639346BDBM639346(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Affinity DataIC50: 1.40E+3nMAssay Description:Determination of the Selectivity To demonstrate the selectivity of the substances with respect to thrombin and factor Xa inhibition, the test substan...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/28/2024
Entry Details
US Patent

TargetTissue-type plasminogen activator(Human)
Germany.F. Hoffmann-La Roche Ltd

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 639346BDBM639346(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of TPA (unknown origin) using CH3SO2-D-Phe-Gly-Arg-AMC as substrate preincubated for 15 mins followed by substrate addition measured after...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetTissue-type plasminogen activator(Human)
Germany.F. Hoffmann-La Roche Ltd

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 639346BDBM639346(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Affinity DataIC50: 1.80E+3nMAssay Description:Determination of the Selectivity To demonstrate the selectivity of the substances with respect to thrombin and factor Xa inhibition, the test substan...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/28/2024
Entry Details
US Patent

TargetCoagulation factor XI(Human)
Bayer Aktiengesellschaft

US Patent
LigandChemical structure of BindingDB Monomer ID 639346BDBM639346(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Affinity DataIC50: 7.50E+3nMAssay Description:Determination of the Selectivity To demonstrate the selectivity of the substances with respect to thrombin and factor Xa inhibition, the test substan...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/28/2024
Entry Details
US Patent

TargetPlasminogen(Human)
Bayer Aktiengesellschaft

US Patent
LigandChemical structure of BindingDB Monomer ID 639346BDBM639346(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Affinity DataIC50: 1.30E+4nMAssay Description:Determination of the Selectivity To demonstrate the selectivity of the substances with respect to thrombin and factor Xa inhibition, the test substan...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/28/2024
Entry Details
US Patent

TargetCytochrome P450 2C8(Human)
Bayer Aktiengesellschaft

US Patent
LigandChemical structure of BindingDB Monomer ID 639346BDBM639346(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Affinity DataIC50: 2.00E+4nMAssay Description:Determination of the Selectivity To demonstrate the selectivity of the substances with respect to thrombin and factor Xa inhibition, the test substan...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/28/2024
Entry Details
US Patent

TargetCytochrome P450 2C9(Human)
Bayer Aktiengesellschaft

US Patent
LigandChemical structure of BindingDB Monomer ID 639346BDBM639346(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Affinity DataIC50: 2.00E+4nMAssay Description:Determination of the Selectivity To demonstrate the selectivity of the substances with respect to thrombin and factor Xa inhibition, the test substan...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/28/2024
Entry Details
US Patent

TargetCytochrome P450 2D6(Human)
Bayer Aktiengesellschaft

US Patent
LigandChemical structure of BindingDB Monomer ID 639346BDBM639346(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Affinity DataIC50: 2.00E+4nMAssay Description:Determination of the Selectivity To demonstrate the selectivity of the substances with respect to thrombin and factor Xa inhibition, the test substan...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/28/2024
Entry Details
US Patent

TargetCytochrome P450 3A4(Human)
Bayer Aktiengesellschaft

US Patent
LigandChemical structure of BindingDB Monomer ID 639346BDBM639346(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Affinity DataIC50: 2.00E+4nMAssay Description:Determination of the Selectivity To demonstrate the selectivity of the substances with respect to thrombin and factor Xa inhibition, the test substan...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/28/2024
Entry Details
US Patent

TargetCytochrome P450 1A2(Human)
Bayer Aktiengesellschaft

US Patent
LigandChemical structure of BindingDB Monomer ID 639346BDBM639346(2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-[(5-chlorothi...)
Affinity DataIC50: 2.00E+4nMAssay Description:Determination of the Selectivity To demonstrate the selectivity of the substances with respect to thrombin and factor Xa inhibition, the test substan...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/28/2024
Entry Details
US Patent