BDBM50113843 2-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenyl]-3-[6-(2-pyrrolidin-1-yl-ethoxy)-pyridin-3-ylmethyl]-benzo[b]thiophen-6-ol::CHEMBL81887

SMILES: Oc1ccc2c(Cc3ccc(OCCN4CCCC4)nc3)c(sc2c1)-c1ccc(OCCN2CCCC2)cc1

InChI Key: InChIKey=DZKKCXFAEARBHV-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 = 50113843   

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))	BDBM50113843 (2-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenyl]-3-[6-(2-py...) Show SMILES Oc1ccc2c(Cc3ccc(OCCN4CCCC4)nc3)c(sc2c1)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C32H37N3O3S/c36-26-8-11-28-29(21-24-5-12-31(33-23-24)38-20-18-35-15-3-4-16-35)32(39-30(28)22-26)25-6-9-27(10-7-25)37-19-17-34-13-1-2-14-34/h5-12,22-23,36H,1-4,13-21H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	9.00E+3	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