BDBM50076835 4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridine-3-sulfonic acid {(S)-1-(4-ethylamino-phenyl)-2-[4-(2-fluoro-ethyl)-piperidin-1-yl]-2-oxo-ethyl}-amide::CHEMBL273388

SMILES: CCNc1ccc(cc1)[C@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)C(=O)N1CCC(CCF)CC1

InChI Key: InChIKey=NARAZZSRADOLSU-FIBWVYCGSA-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 = 50076835   

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))	BDBM50076835 (4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...) Show SMILES CCNc1ccc(cc1)[C@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)C(=O)N1CCC(CCF)CC1 Show InChI InChI=1S/C31H40FN5O4S/c1-2-34-26-10-8-25(9-11-26)30(31(39)37-18-14-23(12-16-32)15-19-37)36-42(40,41)29-21-33-17-13-28(29)35-27(22-38)20-24-6-4-3-5-7-24/h3-11,13,17,21,23,27,30,34,36,38H,2,12,14-16,18-20,22H2,1H3,(H,33,35)/t27-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	575	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Binding affinity to human thrombin				Bioorg Med Chem Lett 9: 1103-8 (1999) BindingDB Entry DOI: 10.7270/Q2SB44XG
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