BDBM50084073 2-Amino-benzenesulfonic acid 3-(1-carbamimidoyl-piperidin-4-ylmethoxy)-5-methyl-phenyl ester::CHEMBL353750

SMILES: Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2ccccc2N)c1

InChI Key: InChIKey=GTUABTQBZONBAF-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 = 50084073   

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))	BDBM50084073 (2-Amino-benzenesulfonic acid 3-(1-carbamimidoyl-pi...) Show SMILES Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2ccccc2N)c1 Show InChI InChI=1S/C20H26N4O4S/c1-14-10-16(27-13-15-6-8-24(9-7-15)20(22)23)12-17(11-14)28-29(25,26)19-5-3-2-4-18(19)21/h2-5,10-12,15H,6-9,13,21H2,1H3,(H3,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	52	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