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-SJORKVTESA-N

Data  4 KI  3 IC50

PDB links: 2 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 7 hits for monomerid = 50073316   

TargetProthrombin(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM50073316(CHEMBL114715 | INOGATRAN | {(R)-1-Cyclohexylmethyl...)
Affinity DataKi:  4.20nMAssay Description:Inhibition of thrombin (unknown origin)More data for this Ligand-Target Pair
TargetProthrombin(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM50073316(CHEMBL114715 | INOGATRAN | {(R)-1-Cyclohexylmethyl...)
Affinity DataKi:  15nMAssay Description:Binding affinity against Thrombin.Checked by AuthorMore data for this Ligand-Target Pair
TargetProthrombin(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM50073316(CHEMBL114715 | INOGATRAN | {(R)-1-Cyclohexylmethyl...)
Affinity DataKi:  15nMAssay Description:The inhibitory activity of the compound was tested against thrombin (IIa)More data for this Ligand-Target Pair
TargetSerine protease 1(Bos taurus (bovine))
Nv Organon Scientific Development Group

Curated by ChEMBL
LigandPNGBDBM50073316(CHEMBL114715 | INOGATRAN | {(R)-1-Cyclohexylmethyl...)
Affinity DataKi:  675nMAssay Description:The inhibitory activity of the compound was tested against trypsinMore data for this Ligand-Target Pair
TargetProthrombin(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM50073316(CHEMBL114715 | INOGATRAN | {(R)-1-Cyclohexylmethyl...)
Affinity DataIC50:  2.24E+4nMAssay Description:In vitro for the inhibition of thrombinMore data for this Ligand-Target Pair
TargetProthrombin(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM50073316(CHEMBL114715 | INOGATRAN | {(R)-1-Cyclohexylmethyl...)
Affinity DataIC50:  1.30E+3nMAssay Description:Inhibition of thrombin (IIa)More data for this Ligand-Target Pair
TargetProthrombin(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM50073316(CHEMBL114715 | INOGATRAN | {(R)-1-Cyclohexylmethyl...)
Affinity DataIC50:  17nMAssay Description:Inhibition against platelet aggregation without interacting directly with the nucleophilic serine of thrombin.Checked by AuthorMore data for this Ligand-Target Pair