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BDBM50113839 CHEMBL82285::{2-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL]-BENZO[B]THIOPHEN-3-YL}-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL]-METHANONE::{2-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[b]thiophen-3-yl}-[6-(2-pyrrolidin-1-yl-ethoxy)-pyridin-3-yl]-methanone

SMILES: O=C(c1c(sc2ccccc12)-c1ccc(OCCN2CCCC2)cc1)c1ccc(OCCN2CCCC2)nc1

InChI Key: InChIKey=ZWXFJUPNUWRODU-UHFFFAOYSA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer.

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 = 50113839   
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
Prothrombin


(Homo sapiens (Human))
BDBM50113839
PNG
(CHEMBL82285 | {2-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHE...)
Show SMILES O=C(c1c(sc2ccccc12)-c1ccc(OCCN2CCCC2)cc1)c1ccc(OCCN2CCCC2)nc1
Show InChI InChI=1S/C32H35N3O3S/c36-31(25-11-14-29(33-23-25)38-22-20-35-17-5-6-18-35)30-27-7-1-2-8-28(27)39-32(30)24-9-12-26(13-10-24)37-21-19-34-15-3-4-16-34/h1-2,7-14,23H,3-6,15-22H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
374n/an/an/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin


Citation and Details
More data for this
Ligand-Target Pair