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)	Ligand	Target/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	pH	Temp °C
Prothrombin (Homo sapiens (Human))	BDBM50113839 (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 antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	374	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Parma Curated by ChEMBL					Assay Description Binding affinity against human thrombin				J Med Chem 45: 2469-83 (2002) BindingDB Entry DOI: 10.7270/Q28916J7
					More data for this Ligand-Target Pair				3D Structure (crystal)