BDBM50107462 (S)-1-[(2S,3S)-3-Hydroxy-2-(naphthalene-2-sulfonylamino)-butyryl]-pyrrolidine-2-carboxylic acid (4-guanidino-butyl)-amide::CHEMBL145398

SMILES: CC(O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N

InChI Key: InChIKey=SRPVTEVXPLENHB-ZMAUEPLISA-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 = 50107462   

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))	BDBM50107462 ((S)-1-[(2S,3S)-3-Hydroxy-2-(naphthalene-2-sulfonyl...) Show SMILES CC(O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N Show InChI InChI=1S/C24H34N6O5S/c1-16(31)21(29-36(34,35)19-11-10-17-7-2-3-8-18(17)15-19)23(33)30-14-6-9-20(30)22(32)27-12-4-5-13-28-24(25)26/h2-3,7-8,10-11,15-16,20-21,29,31H,4-6,9,12-14H2,1H3,(H,27,32)(H4,25,26,28)/t16?,20-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	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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