BDBM639321 Methyl 3-{[(5-chloro-2-thienyl)carbonyl]amino}-N-{[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-sulfonyl}-S-alaninate::US20230391761, Reference 4

SMILES COC(=O)[C@H](CNC(=O)c1ccc(Cl)s1)NS(=O)(=O)c1cccc(N2CCCC2=O)c1C

InChI Key InChIKey=JLNIRPLGKIIBBC-UHFFFAOYSA-N

Data  11 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 639321   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 639321BDBM639321(Methyl 3-{[(5-chloro-2-thienyl)carbonyl]amino}-N-{...)
Affinity DataIC50: 0.490nMAssay 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 639321BDBM639321(Methyl 3-{[(5-chloro-2-thienyl)carbonyl]amino}-N-{...)
Affinity DataIC50: 0.490nMAssay 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 X(Human)
Germany.F. Hoffmann-La Roche Ltd

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 639321BDBM639321(Methyl 3-{[(5-chloro-2-thienyl)carbonyl]amino}-N-{...)
Affinity DataIC50: 12nMAssay 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 639321BDBM639321(Methyl 3-{[(5-chloro-2-thienyl)carbonyl]amino}-N-{...)
Affinity DataIC50: 26nMAssay 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 639321BDBM639321(Methyl 3-{[(5-chloro-2-thienyl)carbonyl]amino}-N-{...)
Affinity DataIC50: 26nMAssay 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
TargetProthrombin(Human)
Bayer Aktiengesellschaft

US Patent
LigandChemical structure of BindingDB Monomer ID 639321BDBM639321(Methyl 3-{[(5-chloro-2-thienyl)carbonyl]amino}-N-{...)
Affinity DataIC50: 430nMAssay 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
TargetTissue-type plasminogen activator(Human)
Bayer Aktiengesellschaft

US Patent
LigandChemical structure of BindingDB Monomer ID 639321BDBM639321(Methyl 3-{[(5-chloro-2-thienyl)carbonyl]amino}-N-{...)
Affinity DataIC50: 1.20E+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

TargetKallikrein-1(Human)
Bayer Aktiengesellschaft

US Patent
LigandChemical structure of BindingDB Monomer ID 639321BDBM639321(Methyl 3-{[(5-chloro-2-thienyl)carbonyl]amino}-N-{...)
Affinity DataIC50: 5.70E+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

TargetSerine protease 1(Human)
Bayer Aktiengesellschaft

US Patent
LigandChemical structure of BindingDB Monomer ID 639321BDBM639321(Methyl 3-{[(5-chloro-2-thienyl)carbonyl]amino}-N-{...)
Affinity DataIC50: 4.10E+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

TargetPlasminogen(Human)
Bayer Aktiengesellschaft

US Patent
LigandChemical structure of BindingDB Monomer ID 639321BDBM639321(Methyl 3-{[(5-chloro-2-thienyl)carbonyl]amino}-N-{...)
Affinity DataIC50: 5.00E+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

TargetCoagulation factor XI(Human)
Bayer Aktiengesellschaft

US Patent
LigandChemical structure of BindingDB Monomer ID 639321BDBM639321(Methyl 3-{[(5-chloro-2-thienyl)carbonyl]amino}-N-{...)
Affinity DataIC50: 5.00E+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