BDBM50084081 CHEMBL166437::Toluene-3-sulfonic acid 3-(1-carbamimidoyl-piperidin-4-ylmethoxy)-5-methyl-phenyl ester

SMILES: Cc1cccc(c1)S(=O)(=O)Oc1cc(C)cc(OCC2CCN(CC2)C(N)=N)c1

InChI Key: InChIKey=WOXCFLKCDOVNFJ-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 = 50084081   

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))	BDBM50084081 (CHEMBL166437 | Toluene-3-sulfonic acid 3-(1-carbam...) Show SMILES Cc1cccc(c1)S(=O)(=O)Oc1cc(C)cc(OCC2CCN(CC2)C(N)=N)c1 Show InChI InChI=1S/C21H27N3O4S/c1-15-4-3-5-20(12-15)29(25,26)28-19-11-16(2)10-18(13-19)27-14-17-6-8-24(9-7-17)21(22)23/h3-5,10-13,17H,6-9,14H2,1-2H3,(H3,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	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