BDBM50107473 (S)-1-((R)-2-Methanesulfonylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid [1-(N-hydroxycarbamimidoyl)-piperidin-4-ylmethyl]-amide::CHEMBL147430

SMILES: CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCN(CC1)C(=N)NO

InChI Key: InChIKey=HXMWDYDZLGDEEK-MOPGFXCFSA-N

Data: 1 IC50

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 = 50107473   

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))	BDBM50107473 ((S)-1-((R)-2-Methanesulfonylamino-3-phenyl-propion...) Show SMILES CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCN(CC1)C(=N)NO Show InChI InChI=1S/C22H34N6O5S/c1-34(32,33)26-18(14-16-6-3-2-4-7-16)21(30)28-11-5-8-19(28)20(29)24-15-17-9-12-27(13-10-17)22(23)25-31/h2-4,6-7,17-19,26,31H,5,8-15H2,1H3,(H2,23,25)(H,24,29)/t18-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against hydrolysis of human alpha thrombin				Bioorg Med Chem Lett 12: 45-9 (2001) BindingDB Entry DOI: 10.7270/Q2GX4C3P
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