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BDBM50135965 2-(4-Methoxy-phenyl)-5-methyl-2H-pyrazole-3-carboxylic acid (3-fluoro-2'-sulfamoyl-biphenyl-4-yl)-amide::CHEMBL147132

SMILES: COc1ccc(cc1)-n1nc(C)cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O

InChI Key: InChIKey=JSJQUUOZSGSQMO-UHFFFAOYSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50135965   
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))
BDBM50135965
PNG
(2-(4-Methoxy-phenyl)-5-methyl-2H-pyrazole-3-carbox...)
Show SMILES COc1ccc(cc1)-n1nc(C)cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C24H21FN4O4S/c1-15-13-22(29(28-15)17-8-10-18(33-2)11-9-17)24(30)27-21-12-7-16(14-20(21)25)19-5-3-4-6-23(19)34(26,31)32/h3-14H,1-2H3,(H,27,30)(H2,26,31,32)
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PC sid
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Article
PubMed
5.30n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50135965
PNG
(2-(4-Methoxy-phenyl)-5-methyl-2H-pyrazole-3-carbox...)
Show SMILES COc1ccc(cc1)-n1nc(C)cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C24H21FN4O4S/c1-15-13-22(29(28-15)17-8-10-18(33-2)11-9-17)24(30)27-21-12-7-16(14-20(21)25)19-5-3-4-6-23(19)34(26,31)32/h3-14H,1-2H3,(H,27,30)(H2,26,31,32)
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Article
PubMed
>1.50E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human trypsin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50135965
PNG
(2-(4-Methoxy-phenyl)-5-methyl-2H-pyrazole-3-carbox...)
Show SMILES COc1ccc(cc1)-n1nc(C)cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C24H21FN4O4S/c1-15-13-22(29(28-15)17-8-10-18(33-2)11-9-17)24(30)27-21-12-7-16(14-20(21)25)19-5-3-4-6-23(19)34(26,31)32/h3-14H,1-2H3,(H,27,30)(H2,26,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>2.10E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of human thrombin


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair