BindingDB logo
myBDB logout

BDBM50307317 4-(2-Carbamimidoyl-benzo[b]thiophen-6-yloxymethyl)-benzoic acid methyl ester::CHEMBL599840

SMILES: CC(=O)Oc1ccc(COc2cccc(c2)-c2ccc3sc(cc3c2)C(N)=N)cc1

InChI Key: InChIKey=XLXZUXUEXZIGPF-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50307317   
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))
BDBM50307317
PNG
(4-(2-Carbamimidoyl-benzo[b]thiophen-6-yloxymethyl)...)
Show SMILES CC(=O)Oc1ccc(COc2cccc(c2)-c2ccc3sc(cc3c2)C(N)=N)cc1
Show InChI InChI=1S/C24H20N2O3S/c1-15(27)29-20-8-5-16(6-9-20)14-28-21-4-2-3-17(12-21)18-7-10-22-19(11-18)13-23(30-22)24(25)26/h2-13H,14H2,1H3,(H3,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.13E+4n/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
3D
3D Structure (docked)