new BindingDB logo
myBDB logout

BDBM50090602 (R)-2-{2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo-piperazin-1-yl]-acetylamino}-3-(3H-imidazol-4-yl)-propionic acid methyl ester::CHEMBL46147

SMILES: COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1

InChI Key: InChIKey=ANSKJRGBKVMOGK-MRXNPFEDSA-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 = 50090602   
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))
BDBM50090602
PNG
((R)-2-{2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl...)
Show SMILES COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1
Show InChI InChI=1S/C21H22ClN5O6S2/c1-33-21(30)16(8-15-9-23-12-24-15)25-18(28)10-26-4-5-27(11-19(26)29)35(31,32)20-6-13-2-3-14(22)7-17(13)34-20/h2-3,6-7,9,12,16H,4-5,8,10-11H2,1H3,(H,23,24)(H,25,28)/t16-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.20E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair