null

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

InChI Key InChIKey=DKWNMCUOEDMMIN-PKOBYXMFSA-N

PDB links: 3 PDB IDs match this monomer.

  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 24 hits for monomerid = 29388   

TargetProthrombin(Homo sapiens (Human))
Life Science R&D, LGCI

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999)copy SMILEScopy InChI
Affinity DataKi:  1.20nMAssay Description:Binding affinity against human thrombinMore data for this Ligand-Target Pair
TargetProthrombin(Homo sapiens (Human))
Life Science R&D, LGCI

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999)copy SMILEScopy InChI
Affinity DataKi:  2nMAssay Description:Inhibitory activity against thrombin.More data for this Ligand-Target Pair
TargetProthrombin(Homo sapiens (Human))
Life Science R&D, LGCI

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999)copy SMILEScopy InChI
Affinity DataKi:  2nMAssay Description:Inhibition of thrombin (unknown origin)More data for this Ligand-Target Pair
TargetProthrombin(Homo sapiens (Human))
Life Science R&D, LGCI

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999)copy SMILEScopy InChI
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
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999)copy SMILEScopy InChI
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 DepthDetails
BindingDB Entry DOI: 10.7270/Q2VH5SRTUS Patent
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999)copy SMILEScopy InChI
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 DepthDetails
BindingDB Entry DOI: 10.7270/Q2VH5SRTUS Patent
TargetPlasminogen(Homo sapiens (Human))
Philipps University Marburg

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999)copy SMILEScopy InChI
Affinity DataKi:  700nMAssay Description:Inhibition of plasmin (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ361PPubMed
TargetTissue-type plasminogen activator(Homo sapiens (Human))
Philipps University Marburg

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999)copy SMILEScopy InChI
Affinity DataKi:  900nMAssay Description:Inhibition of tissue-type plasminogen activator (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ361PPubMed
TargetTissue-type plasminogen activator(Homo sapiens (Human))
Philipps University Marburg

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999)copy SMILEScopy InChI
Affinity DataKi:  1.51E+3nMAssay Description:Inhibition of human t-PAMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2X92CR8PubMed
TargetPlasminogen(Homo sapiens (Human))
Philipps University Marburg

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999)copy SMILEScopy InChI
Affinity DataKi:  1.80E+3nMAssay Description:Inhibition of human plasminMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2X92CR8PubMed
TargetCoagulation factor X(Homo sapiens (Human))
LG Life Sciences

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999)copy SMILEScopy InChI
Affinity DataKi:  3.68E+3nMAssay Description:Inhibition of human factor 10aMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2X92CR8PubMed
TargetUrokinase-type plasminogen activator(Homo sapiens (Human))
Philipps University Marburg

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999)copy SMILEScopy InChI
Affinity DataKi:  6.30E+3nMAssay Description:Inhibition of urokinase-type plasminogen activator (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ361PPubMed
TargetProthrombin(Homo sapiens (Human))
Life Science R&D, LGCI

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999)copy SMILEScopy InChI
Affinity DataIC50: 69.2nMAssay Description:Inhibition of thrombin by chromogenic assayMore data for this Ligand-Target Pair
TargetPlasminogen(Homo sapiens (Human))
Philipps University Marburg

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999)copy SMILEScopy InChI
Affinity DataIC50: 3.06E+3nMAssay Description:Inhibition of plasminMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MC90T5PubMed
TargetCoagulation factor XI(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2542Q3BPubMed
TargetCoagulation factor X(Homo sapiens (Human))
LG Life Sciences

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2542Q3BPubMed
TargetProthrombin(Homo sapiens (Human))
Life Science R&D, LGCI

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999)copy SMILEScopy InChI
Affinity DataIC50: 4.70nMAssay Description:In vitro inhibitory concentration of compound against human thrombinMore data for this Ligand-Target Pair
TargetProthrombin(Homo sapiens (Human))
Life Science R&D, LGCI

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999)copy SMILEScopy InChI
Affinity DataIC50: 4.70E+3nMAssay Description:In vitro for the inhibition of thrombinMore data for this Ligand-Target Pair
TargetProthrombin(Homo sapiens (Human))
Life Science R&D, LGCI

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999)copy SMILEScopy InChI
Affinity DataIC50: 69nMAssay Description:In vitro inhibitory activity against thrombinMore data for this Ligand-Target Pair
TargetSerine protease 1(Bos taurus (bovine))
BASF AG

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999)copy SMILEScopy InChI
Affinity DataIC50: 11nMAssay Description:In vitro inhibitory activity against trypsinMore data for this Ligand-Target Pair
TargetProthrombin(Homo sapiens (Human))
Life Science R&D, LGCI

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999)copy SMILEScopy InChI
Affinity DataIC50: 8nMAssay Description:The thrombin inhibitor potency (IC50) was measured with a chromogenic substrate method in a robotic microplate processor, using 96-well, half-volume ...More data for this Ligand-Target Pair
TargetProthrombin(Homo sapiens (Human))
Life Science R&D, LGCI

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999)copy SMILEScopy InChI
Affinity DataIC50: 69nMAssay Description:Inhibition of thrombinMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
LG Life Sciences

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999)copy SMILEScopy InChI
Affinity DataIC50: 1.73E+4nMAssay Description:Inhibition of F10aMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MC90T5PubMed
TargetVitamin K-dependent protein C(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM29388(Exanta | Melagatran | US11584714, Compound 999)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2542Q3BPubMed