BDBM29386 proline scaffold, 35

SMILES: CNC(=O)[C@@H]1CCCN1C(=O)[C@H](NS(=O)(=O)Cc1ccccc1)C1CCCCC1

InChI Key: InChIKey=CLLPEYTZAVBEBL-RBUKOAKNSA-N

Data: 1 IC50  1 Kd

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 29386   

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))	BDBM29386 (proline scaffold, 35) Show SMILES CNC(=O)[C@@H]1CCCN1C(=O)[C@H](NS(=O)(=O)Cc1ccccc1)C1CCCCC1 |r| Show InChI InChI=1S/C21H31N3O4S/c1-22-20(25)18-13-8-14-24(18)21(26)19(17-11-6-3-7-12-17)23-29(27,28)15-16-9-4-2-5-10-16/h2,4-5,9-10,17-19,23H,3,6-8,11-15H2,1H3,(H,22,25)/t18-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+5	3.50E+4	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description SPR experiments where performed with a Biacore A100 using Series S sensor chip CM5 (GE Healthcare Bio-Sciences AB, Uppsala, Sweden). The proteins wer...				J Med Chem 52: 2708-15 (2009) Article DOI: 10.1021/jm8011849 BindingDB Entry DOI: 10.7270/Q2H130B7
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