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BDBM50140409 2-(3-Methanesulfonyl-naphthalen-2-yl)-5-methyl-2H-pyrazole-3-carboxylic acid [2-fluoro-4-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)-phenyl]-amide::CHEMBL280925

SMILES: CN1CCN=C1c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2S(C)(=O)=O)c(F)c1

InChI Key: InChIKey=NMRULGHWGDHFNT-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 = 50140409   
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))
BDBM50140409
PNG
(2-(3-Methanesulfonyl-naphthalen-2-yl)-5-methyl-2H-...)
Show SMILES CN1CCN=C1c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2S(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C26H24FN5O3S/c1-16-12-23(26(33)29-21-9-8-19(13-20(21)27)25-28-10-11-31(25)2)32(30-16)22-14-17-6-4-5-7-18(17)15-24(22)36(3,34)35/h4-9,12-15H,10-11H2,1-3H3,(H,29,33)
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PC cid
PC sid
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Article
PubMed
3.90n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Coagulation factor X


Bioorg Med Chem Lett 14: 1229-34 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.054
BindingDB Entry DOI: 10.7270/Q2QN6664
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50140409
PNG
(2-(3-Methanesulfonyl-naphthalen-2-yl)-5-methyl-2H-...)
Show SMILES CN1CCN=C1c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2S(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C26H24FN5O3S/c1-16-12-23(26(33)29-21-9-8-19(13-20(21)27)25-28-10-11-31(25)2)32(30-16)22-14-17-6-4-5-7-18(17)15-24(22)36(3,34)35/h4-9,12-15H,10-11H2,1-3H3,(H,29,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Coagulation factor X


Bioorg Med Chem Lett 14: 1229-34 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.054
BindingDB Entry DOI: 10.7270/Q2QN6664
More data for this
Ligand-Target Pair