BDBM50069169 CHEMBL2373399::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-phenethyl-tetrazol-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)Cn1nnnc1CCc1ccccc1

InChI Key: InChIKey=RNKQVYWFOJJDFW-UHSLWEMGSA-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 = 50069169   

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))	BDBM50069169 (CHEMBL2373399 | 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)Cn1nnnc1CCc1ccccc1 Show InChI InChI=1S/C26H39BN6O3/c1-25(2)19-15-20(25)26(3)21(16-19)35-27(36-26)22(11-7-8-14-28)29-24(34)17-33-23(30-31-32-33)13-12-18-9-5-4-6-10-18/h4-6,9-10,19-22H,7-8,11-17,28H2,1-3H3,(H,29,34)/t19-,20-,21+,22-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	33	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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