BindingDB logo
myBDB logout

BDBM50140417 2-(3-Fluoro-naphthalen-2-yl)-5-methyl-2H-pyrazole-3-carboxylic acid [2-fluoro-4-(imino-pyrrolidin-1-yl-methyl)-phenyl]-amide::CHEMBL21179

SMILES: Cc1cc(C(=O)Nc2ccc(cc2F)C(=N)N2CCCC2)n(n1)-c1cc2ccccc2cc1F

InChI Key: InChIKey=LQHYFMKRZYGPBR-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 = 50140417   
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))
BDBM50140417
PNG
(2-(3-Fluoro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2F)C(=N)N2CCCC2)n(n1)-c1cc2ccccc2cc1F
Show InChI InChI=1S/C26H23F2N5O/c1-16-12-24(33(31-16)23-15-18-7-3-2-6-17(18)13-21(23)28)26(34)30-22-9-8-19(14-20(22)27)25(29)32-10-4-5-11-32/h2-3,6-9,12-15,29H,4-5,10-11H2,1H3,(H,30,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.10n/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))
BDBM50140417
PNG
(2-(3-Fluoro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2F)C(=N)N2CCCC2)n(n1)-c1cc2ccccc2cc1F
Show InChI InChI=1S/C26H23F2N5O/c1-16-12-24(33(31-16)23-15-18-7-3-2-6-17(18)13-21(23)28)26(34)30-22-9-8-19(14-20(22)27)25(29)32-10-4-5-11-32/h2-3,6-9,12-15,29H,4-5,10-11H2,1H3,(H,30,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6n/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