BDBM29387 proline scaffold, 36

SMILES: COCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](O)C1CCCCC1

InChI Key: InChIKey=GFEDJHAFXFOHCK-UONOGXRCSA-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 = 29387   

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))	BDBM29387 (proline scaffold, 36) Show SMILES COCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](O)C1CCCCC1 |r| Show InChI InChI=1S/C16H28N2O4/c1-22-11-9-17-15(20)13-8-5-10-18(13)16(21)14(19)12-6-3-2-4-7-12/h12-14,19H,2-11H2,1H3,(H,17,20)/t13-,14+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+5	>1.00E+6	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
					More data for this Ligand-Target Pair