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BDBM50147789 2-{3-[2,2-Difluoro-2-(1-oxy-pyridin-2-yl)-ethylamino]-2-oxo-2H-pyrazin-1-yl}-N-(2-tetrazol-1-yl-benzyl)-acetamide::CHEMBL441463

SMILES: [O-][n+]1ccccc1C(F)(F)CNc1nccn(CC(=O)NCc2ccccc2-n2cnnn2)c1=O

InChI Key: InChIKey=NXHSVNNVHFYXIB-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50147789   
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 and coagulation factor X


(Homo sapiens (Human))
BDBM50147789
PNG
(2-{3-[2,2-Difluoro-2-(1-oxy-pyridin-2-yl)-ethylami...)
Show SMILES [O-][n+]1ccccc1C(F)(F)CNc1nccn(CC(=O)NCc2ccccc2-n2cnnn2)c1=O
Show InChI InChI=1S/C21H19F2N9O3/c22-21(23,17-7-3-4-9-32(17)35)13-26-19-20(34)30(10-8-24-19)12-18(33)25-11-15-5-1-2-6-16(15)31-14-27-28-29-31/h1-10,14H,11-13H2,(H,24,26)(H,25,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory potency against human thrombin


J Med Chem 47: 2995-3008 (2004)


Article DOI: 10.1021/jm030303e
BindingDB Entry DOI: 10.7270/Q270826B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50147789
PNG
(2-{3-[2,2-Difluoro-2-(1-oxy-pyridin-2-yl)-ethylami...)
Show SMILES [O-][n+]1ccccc1C(F)(F)CNc1nccn(CC(=O)NCc2ccccc2-n2cnnn2)c1=O
Show InChI InChI=1S/C21H19F2N9O3/c22-21(23,17-7-3-4-9-32(17)35)13-26-19-20(34)30(10-8-24-19)12-18(33)25-11-15-5-1-2-6-16(15)31-14-27-28-29-31/h1-10,14H,11-13H2,(H,24,26)(H,25,33)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
370n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory potency of compound against human Coagulation factor Xa


J Med Chem 47: 2995-3008 (2004)


Article DOI: 10.1021/jm030303e
BindingDB Entry DOI: 10.7270/Q270826B
More data for this
Ligand-Target Pair