BDBM50073316 CHEMBL114715::INOGATRAN::{(R)-1-Cyclohexylmethyl-2-[(S)-2-(3-guanidino-propylcarbamoyl)-piperidin-1-yl]-2-oxo-ethylamino}-acetic acid::{1-Cyclohexylmethyl-2-[2-(3-guanidino-propylcarbamoyl)-piperidin-1-yl]-2-oxo-ethylamino}-acetic acid(inogatran)::{[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)-1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID

SMILES NC(=N)NCCCNC(=O)[C@@H]1CCCCN1C(=O)[C@@H](CC1CCCCC1)NCC(O)=O

InChI Key InChIKey=CDPROXZBMHOBTQ-UHFFFAOYSA-N

Data  4 KI  3 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 7 hits for monomerid = 50073316   

TargetProthrombin(Human)
Nv Organon Scientific Development Group

Curated by ChEMBL
LigandPNGBDBM50073316(CHEMBL114715 | {[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO...)
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of thrombin (IIa)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetProthrombin(Human)
Nv Organon Scientific Development Group

Curated by ChEMBL
LigandPNGBDBM50073316(CHEMBL114715 | {[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO...)
Affinity DataIC50: 17nMAssay Description:Inhibition against platelet aggregation without interacting directly with the nucleophilic serine of thrombin.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetProthrombin(Human)
Nv Organon Scientific Development Group

Curated by ChEMBL
LigandPNGBDBM50073316(CHEMBL114715 | {[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO...)
Affinity DataIC50: 2.24E+4nMAssay 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)
Nv Organon Scientific Development Group

Curated by ChEMBL
LigandPNGBDBM50073316(CHEMBL114715 | {[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO...)
Affinity DataKi:  4.20nMAssay Description:Inhibition of thrombin (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetProthrombin(Human)
Nv Organon Scientific Development Group

Curated by ChEMBL
LigandPNGBDBM50073316(CHEMBL114715 | {[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO...)
Affinity DataKi:  15nMAssay Description:The inhibitory activity against thrombin (IIa)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetProthrombin(Human)
Nv Organon Scientific Development Group

Curated by ChEMBL
LigandPNGBDBM50073316(CHEMBL114715 | {[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO...)
Affinity DataKi:  15nMAssay Description:Binding affinity against Thrombin.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetSerine protease 1(Bovine)
Nv Organon Scientific Development Group

Curated by ChEMBL
LigandPNGBDBM50073316(CHEMBL114715 | {[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO...)
Affinity DataKi:  675nMAssay Description:The inhibitory activity against trypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed