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BDBM50228908 3'-fluoro-4'-{2-[2-(4-methoxy-phenyl)-5-trifluoromethyl-2H-pyrazol-3-yl]-2-oxo-ethyl}-biphenyl-2-sulfonic acid amide::CHEMBL252650

SMILES: COc1ccc(cc1)-n1nc(cc1C(=O)Cc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F

InChI Key: InChIKey=OJRDXFSQWLVJDP-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50228908   
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))
BDBM50228908
PNG
(3'-fluoro-4'-{2-[2-(4-methoxy-phenyl)-5-trifluorom...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Cc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C25H19F4N3O4S/c1-36-18-10-8-17(9-11-18)32-21(14-24(31-32)25(27,28)29)22(33)13-16-7-6-15(12-20(16)26)19-4-2-3-5-23(19)37(30,34)35/h2-12,14H,13H2,1H3,(H2,30,34,35)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
6.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50228908
PNG
(3'-fluoro-4'-{2-[2-(4-methoxy-phenyl)-5-trifluorom...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Cc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C25H19F4N3O4S/c1-36-18-10-8-17(9-11-18)32-21(14-24(31-32)25(27,28)29)22(33)13-16-7-6-15(12-20(16)26)19-4-2-3-5-23(19)37(30,34)35/h2-12,14H,13H2,1H3,(H2,30,34,35)
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



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair