BDBM29388 Exanta::Melagatran::US11584714, Compound 999::US12195427, Compound 999

SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(O)=O)C2CCCCC2)cc1

InChI Key InChIKey=DKWNMCUOEDMMIN-UHFFFAOYSA-N

Data  15 KI  14 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 29 hits for monomerid = 29388   

TargetCoagulation factor X(Human)
Abbott

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999 | U...)
Affinity DataIC50: 1.73E+4nMAssay Description:Inhibition of F10aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/6/2012
Entry Details Article
PubMed
TargetProthrombin(Human)
Verseon

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999 | U...)
Affinity DataIC50: 90nMAssay Description:Inhibition of human thrombin using S-2238 as chromogenic substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetCoagulation factor X(Human)
Abbott

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999 | U...)
Affinity DataIC50: 1.52E+4nMAssay Description:Inhibition of human factor Xa using S-2765 as chromogenic substrate preincubated for 10 mins followed by substrate addition and measured after 10 min...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetVitamin K-dependent protein C(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999 | U...)
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of human APC using S-2366 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotom...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetCoagulation factor X(Human)
Abbott

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999 | U...)
Affinity DataIC50: 2.10E+4nMAssay Description:Inhibition of human coagulation factor 10a using S-2765 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetCoagulation factor XI(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999 | U...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human coagulation factor 11a using S-2366 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetPlasminogen(Human)
Abbott

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999 | U...)
Affinity DataIC50: 3.06E+3nMAssay Description:Inhibition of plasminMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/6/2012
Entry Details Article
PubMed
TargetProthrombin(Human)
Verseon

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999 | U...)
Affinity DataIC50: 69.2nMAssay Description:Inhibition of thrombin by chromogenic assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/6/2012
Entry Details Article
PubMed
TargetProthrombin(Human)
Verseon

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999 | U...)
Affinity DataIC50: 69nMAssay Description:Inhibition of thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/6/2012
Entry Details Article
PubMed
TargetProthrombin(Human)
Verseon

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999 | U...)
Affinity DataIC50: 4.70nMAssay Description:In vitro inhibitory concentration of compound against human thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed
TargetProthrombin(Human)
Verseon

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999 | U...)
Affinity DataIC50: 4.70E+3nMAssay Description:In vitro for the inhibition of thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetProthrombin(Human)
Verseon

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999 | U...)
Affinity DataIC50: 69nMAssay Description:In vitro inhibitory activity against thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/7/2012
Entry Details Article
PubMed
TargetSerine protease 1(Bovine)
Basf

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999 | U...)
Affinity DataIC50: 11nMAssay Description:In vitro inhibitory activity against trypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/7/2012
Entry Details Article
PubMed
TargetProthrombin(Human)
Verseon

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999 | U...)
In Depth
Date in BDB:
6/8/2009
Entry Details Article
PubMed
TargetProthrombin(Human)
Verseon

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999 | U...)
Affinity DataKi:  1.20nMAssay Description:Binding affinity against human thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/6/2012
Entry Details Article
PubMed
TargetProthrombin(Human)
Verseon

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999 | U...)
Affinity DataKi:  2nMAssay Description:Inhibitory activity against thrombin.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed
TargetProthrombin(Human)
Verseon

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999 | U...)
Affinity DataKi:  2nMAssay Description:Inhibition of thrombin (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetMannan-binding lectin serine protease 2(Mouse)
Omeros

US Patent
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999 | U...)
Affinity DataKi: <500nMAssay Description:The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/9/2023
Entry Details
Go to US Patent

TargetProthrombin(Human)
Verseon

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999 | U...)
Affinity DataKi: <500nMAssay Description:The thrombin assay utilizes a fluorogenic peptide substrate (Boc-VPR-AMC (R&D Systems) and was run at room temperature in an assay buffer containing ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/9/2023
Entry Details
Go to US Patent

TargetProthrombin(Human)
Verseon

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999 | U...)
Affinity DataKi: <500nMAssay Description:The thrombin assay utilizes a fluorogenic peptide substrate (Boc-VPR-AMC (R&D Systems) and was run at room temperature in an assay buffer containing ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/26/2025
Entry Details
Go to US Patent

TargetMannan-binding lectin serine protease 2(Human)
Omeros

US Patent
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999 | U...)
Affinity DataKi: <500nMAssay Description:The MASP-2 assay protocol was carried out as follows. Test compounds were serially diluted in DMSO and then 100 nL of each dilution was transferred t...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/26/2025
Entry Details
Go to US Patent

TargetMannan-binding lectin serine protease 2(Mouse)
Omeros

US Patent
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999 | U...)
Affinity DataKi: <500nMAssay Description:The MASP-2 assay protocol was carried out as follows. Test compounds were serially diluted in DMSO and then 100 nL of each dilution was transferred t...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/26/2025
Entry Details
Go to US Patent

TargetMannan-binding lectin serine protease 2(Human)
Omeros

US Patent
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999 | U...)
Affinity DataKi: <500nMAssay Description:The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/9/2023
Entry Details
Go to US Patent

TargetPlasminogen(Human)
Abbott

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999 | U...)
Affinity DataKi:  700nMAssay Description:Inhibition of plasmin (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetTissue-type plasminogen activator(Human)
Philipps University Marburg

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999 | U...)
Affinity DataKi:  900nMAssay Description:Inhibition of tissue-type plasminogen activator (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetTissue-type plasminogen activator(Human)
Philipps University Marburg

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999 | U...)
Affinity DataKi:  1.51E+3nMAssay Description:Inhibition of human t-PAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetPlasminogen(Human)
Abbott

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999 | U...)
Affinity DataKi:  1.80E+3nMAssay Description:Inhibition of human plasminMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetCoagulation factor X(Human)
Abbott

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999 | U...)
Affinity DataKi:  3.68E+3nMAssay Description:Inhibition of human factor 10aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetUrokinase-type plasminogen activator(Human)
Philipps University Marburg

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999 | U...)
Affinity DataKi:  6.30E+3nMAssay Description:Inhibition of urokinase-type plasminogen activator (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed