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BDBM50125010 CHEMBL350629::N-[(R)-4-Guanidino-1-(thiazole-2-carbonyl)-butyl]-2-((S)-2-oxo-3-phenylmethanesulfonylamino-azepan-1-yl)-acetamide

SMILES: NC(=N)NCCC[C@@H](NC(=O)CN1CCCC[C@H](NS(=O)(=O)Cc2ccccc2)C1=O)C(=O)c1nccs1

InChI Key: InChIKey=OWESYYYFYGKROZ-MOPGFXCFSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50125010   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50125010
PNG
(CHEMBL350629 | N-[(R)-4-Guanidino-1-(thiazole-2-ca...)
Show SMILES NC(=N)NCCC[C@@H](NC(=O)CN1CCCC[C@H](NS(=O)(=O)Cc2ccccc2)C1=O)C(=O)c1nccs1
Show InChI InChI=1S/C24H33N7O5S2/c25-24(26)28-11-6-10-18(21(33)22-27-12-14-37-22)29-20(32)15-31-13-5-4-9-19(23(31)34)30-38(35,36)16-17-7-2-1-3-8-17/h1-3,7-8,12,14,18-19,30H,4-6,9-11,13,15-16H2,(H,29,32)(H4,25,26,28)/t18-,19+/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against factor Xa


Bioorg Med Chem Lett 13: 723-8 (2003)


Article DOI: 10.1016/s0960-894x(02)01037-5
BindingDB Entry DOI: 10.7270/Q2Z037JH
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50125010
PNG
(CHEMBL350629 | N-[(R)-4-Guanidino-1-(thiazole-2-ca...)
Show SMILES NC(=N)NCCC[C@@H](NC(=O)CN1CCCC[C@H](NS(=O)(=O)Cc2ccccc2)C1=O)C(=O)c1nccs1
Show InChI InChI=1S/C24H33N7O5S2/c25-24(26)28-11-6-10-18(21(33)22-27-12-14-37-22)29-20(32)15-31-13-5-4-9-19(23(31)34)30-38(35,36)16-17-7-2-1-3-8-17/h1-3,7-8,12,14,18-19,30H,4-6,9-11,13,15-16H2,(H,29,32)(H4,25,26,28)/t18-,19+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against serine protease thrombin


Bioorg Med Chem Lett 13: 723-8 (2003)


Article DOI: 10.1016/s0960-894x(02)01037-5
BindingDB Entry DOI: 10.7270/Q2Z037JH
More data for this
Ligand-Target Pair