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BDBM50107063 (6S,8aS)-4-Oxo-2-phenylmethanesulfonyl-octahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid (1-carbamimidoyl-piperidin-4-ylmethyl)-amide::CHEMBL110814

SMILES: NC(=N)N1CCC(CNC(=O)[C@@H]2CC[C@H]3CN(CC(=O)N23)S(=O)(=O)Cc2ccccc2)CC1

InChI Key: InChIKey=VCLYWQCHJOKUFP-OALUTQOASA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50107063   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thrombin


(Rattus norvegicus)
BDBM50107063
PNG
((6S,8aS)-4-Oxo-2-phenylmethanesulfonyl-octahydro-p...)
Show SMILES NC(=N)N1CCC(CNC(=O)[C@@H]2CC[C@H]3CN(CC(=O)N23)S(=O)(=O)Cc2ccccc2)CC1
Show InChI InChI=1S/C22H32N6O4S/c23-22(24)26-10-8-16(9-11-26)12-25-21(30)19-7-6-18-13-27(14-20(29)28(18)19)33(31,32)15-17-4-2-1-3-5-17/h1-5,16,18-19H,6-15H2,(H3,23,24)(H,25,30)/t18-,19-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
78n/an/an/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
In vitro ability of the compound to inhibit the amidolytic activity of thrombin


Citation and Details
More data for this
Ligand-Target Pair