BDBM50069167 CHEMBL2373519::N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-pentyl]-2-[5-(3-phenyl-propyl)-[1,2,4]triazol-1-yl]-acetamide

SMILES: [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)Cn1ncnc1CCCc1ccccc1

InChI Key: InChIKey=ZEENKKKCYQUUFT-NWWUHRASSA-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 = 50069167   

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))	BDBM50069167 (CHEMBL2373519 | N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,...) Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)Cn1ncnc1CCCc1ccccc1 Show InChI InChI=1S/C28H42BN5O3/c1-27(2)21-16-22(27)28(3)23(17-21)36-29(37-28)24(13-7-8-15-30)33-26(35)18-34-25(31-19-32-34)14-9-12-20-10-5-4-6-11-20/h4-6,10-11,19,21-24H,7-9,12-18,30H2,1-3H3,(H,33,35)/t21-,22-,23+,24-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition against human thrombin				Bioorg Med Chem Lett 8: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2P84B1P
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