BDBM50289593 5-Phenyl-furan-2-carboxylic acid [(R)-4-guanidino-1-((2S,6R)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-butyl]-amide::CHEMBL40364

SMILES: CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)[C@H](CCCNC(N)=N)NC(=O)c1ccc(o1)-c1ccccc1

InChI Key: InChIKey=HPDQISLSNJJTKU-SAGWSTNZSA-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 = 50289593   

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))	BDBM50289593 (5-Phenyl-furan-2-carboxylic acid [(R)-4-guanidino-...) Show SMILES CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)[C@H](CCCNC(N)=N)NC(=O)c1ccc(o1)-c1ccccc1 |THB:8:6:1:4| Show InChI InChI=1S/C26H35BN4O4/c1-25(2)17-14-20(25)26(3)21(15-17)34-27(35-26)22(10-7-13-30-24(28)29)31-23(32)19-12-11-18(33-19)16-8-5-4-6-9-16/h4-6,8-9,11-12,17,20-22H,7,10,13-15H2,1-3H3,(H,31,32)(H4,28,29,30)/t17?,20?,21-,22+,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	137	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ
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