BindingDB logo
myBDB logout

BDBM50140410 2-(6-Chloro-naphthalen-2-yl)-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid [4-(N,N-dimethyl-carbamimidoyl)-2-fluoro-phenyl]-amide::CHEMBL20438

SMILES: CN(C)C(=N)c1ccc(NC(=O)c2cc(nn2-c2ccc3cc(Cl)ccc3c2)C(F)(F)F)c(F)c1

InChI Key: InChIKey=AFJYDYSZZNSFID-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 = 50140410   
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))
BDBM50140410
PNG
(2-(6-Chloro-naphthalen-2-yl)-5-trifluoromethyl-2H-...)
Show SMILES CN(C)C(=N)c1ccc(NC(=O)c2cc(nn2-c2ccc3cc(Cl)ccc3c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C24H18ClF4N5O/c1-33(2)22(30)15-5-8-19(18(26)11-15)31-23(35)20-12-21(24(27,28)29)32-34(20)17-7-4-13-9-16(25)6-3-14(13)10-17/h3-12,30H,1-2H3,(H,31,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.900n/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))
BDBM50140410
PNG
(2-(6-Chloro-naphthalen-2-yl)-5-trifluoromethyl-2H-...)
Show SMILES CN(C)C(=N)c1ccc(NC(=O)c2cc(nn2-c2ccc3cc(Cl)ccc3c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C24H18ClF4N5O/c1-33(2)22(30)15-5-8-19(18(26)11-15)31-23(35)20-12-21(24(27,28)29)32-34(20)17-7-4-13-9-16(25)6-3-14(13)10-17/h3-12,30H,1-2H3,(H,31,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1n/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