BDBM50084085 2-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-piperidin-4-ylmethoxy)-5-methoxy-phenyl ester::CHEMBL166779

SMILES: COc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1

InChI Key: InChIKey=FICHPMBMLYANBU-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 = 50084085   

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))	BDBM50084085 (2-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-p...) Show SMILES COc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1 Show InChI InChI=1S/C20H24ClN3O5S/c1-27-15-10-16(28-13-14-6-8-24(9-7-14)20(22)23)12-17(11-15)29-30(25,26)19-5-3-2-4-18(19)21/h2-5,10-12,14H,6-9,13H2,1H3,(H3,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceutical, Inc. Curated by ChEMBL					Assay Description Anti- Thrombin activity using standard chromogenic assay				Bioorg Med Chem Lett 10: 79-82 (2000) BindingDB Entry DOI: 10.7270/Q2GH9H6F
					More data for this Ligand-Target Pair