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BDBM50140415 2-(6-Chloro-naphthalen-2-yl)-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid [2-fluoro-4-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)-phenyl]-amide::CHEMBL281838

SMILES: CN1CCN=C1c1ccc(NC(=O)c2cc(nn2-c2ccc3cc(Cl)ccc3c2)C(F)(F)F)c(F)c1

InChI Key: InChIKey=IRMIUWHWCBCSNB-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 = 50140415   
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))
BDBM50140415
PNG
(2-(6-Chloro-naphthalen-2-yl)-5-trifluoromethyl-2H-...)
Show SMILES CN1CCN=C1c1ccc(NC(=O)c2cc(nn2-c2ccc3cc(Cl)ccc3c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C25H18ClF4N5O/c1-34-9-8-31-23(34)16-4-7-20(19(27)12-16)32-24(36)21-13-22(25(28,29)30)33-35(21)18-6-3-14-10-17(26)5-2-15(14)11-18/h2-7,10-13H,8-9H2,1H3,(H,32,36)
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PC cid
PC sid
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Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 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))
BDBM50140415
PNG
(2-(6-Chloro-naphthalen-2-yl)-5-trifluoromethyl-2H-...)
Show SMILES CN1CCN=C1c1ccc(NC(=O)c2cc(nn2-c2ccc3cc(Cl)ccc3c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C25H18ClF4N5O/c1-34-9-8-31-23(34)16-4-7-20(19(27)12-16)32-24(36)21-13-22(25(28,29)30)33-35(21)18-6-3-14-10-17(26)5-2-15(14)11-18/h2-7,10-13H,8-9H2,1H3,(H,32,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 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