BindingDB logo
myBDB logout

BDBM50307325 2-(2-Carbamimidoyl-benzo[b]thiophen-6-yloxy)-2-(4-fluoro-phenyl)-acetamide::CHEMBL598370

SMILES: NC(=O)C(Oc1cccc(c1)-c1ccc2sc(cc2c1)C(N)=N)c1ccc(F)cc1

InChI Key: InChIKey=DYSGBMMZEKOKHY-UHFFFAOYNA-N

Data: 2 KI

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 = 50307325   
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 IX


(Homo sapiens (Human))
BDBM50307325
PNG
(2-(2-Carbamimidoyl-benzo[b]thiophen-6-yloxy)-2-(4-...)
Show SMILES NC(=O)C(Oc1cccc(c1)-c1ccc2sc(cc2c1)C(N)=N)c1ccc(F)cc1
Show InChI InChI=1/C23H18FN3O2S/c24-17-7-4-13(5-8-17)21(23(27)28)29-18-3-1-2-14(11-18)15-6-9-19-16(10-15)12-20(30-19)22(25)26/h1-12,21H,(H3,25,26)(H2,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.98E+3n/an/an/an/an/an/an/an/a



Trigen Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay


J Med Chem 53: 1465-72 (2010)


Article DOI: 10.1021/jm901475e
BindingDB Entry DOI: 10.7270/Q22N5372
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50307325
PNG
(2-(2-Carbamimidoyl-benzo[b]thiophen-6-yloxy)-2-(4-...)
Show SMILES NC(=O)C(Oc1cccc(c1)-c1ccc2sc(cc2c1)C(N)=N)c1ccc(F)cc1
Show InChI InChI=1/C23H18FN3O2S/c24-17-7-4-13(5-8-17)21(23(27)28)29-18-3-1-2-14(11-18)15-6-9-19-16(10-15)12-20(30-19)22(25)26/h1-12,21H,(H3,25,26)(H2,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.50E+4n/an/an/an/an/an/an/an/a



Trigen Ltd.

Curated by ChEMBL


Assay Description
Inhibition of factor 10 by amidolytic assay


J Med Chem 53: 1465-72 (2010)


Article DOI: 10.1021/jm901475e
BindingDB Entry DOI: 10.7270/Q22N5372
More data for this
Ligand-Target Pair