BDBM50289585 (3-{5-[(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)-butylcarbamoyl]-thiophen-2-yl}-phenyl)-carbamic acid tert-butyl ester::CHEMBL276881

SMILES: CC(C)(C)OC(=O)Nc1cccc(c1)-c1ccc(s1)C(=O)N[C@@H](CCCNC(N)=N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1

InChI Key: InChIKey=DMXLEYSBGURAQX-GBQMHVMUSA-N

Data: 2 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 2 hits for monomerid = 50289585   

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
Trypsin-1 (Homo sapiens (Human))	BDBM50289585 ((3-{5-[(R)-4-Guanidino-1-((2S,6R)-2,9,9-trimethyl-...) Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)-c1ccc(s1)C(=O)N[C@@H](CCCNC(N)=N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:42:40:37:35| Show InChI InChI=1S/C31H44BN5O5S/c1-29(2,3)40-28(39)36-20-10-7-9-18(15-20)21-12-13-22(43-21)26(38)37-25(11-8-14-35-27(33)34)32-41-24-17-19-16-23(30(19,4)5)31(24,6)42-32/h7,9-10,12-13,15,19,23-25H,8,11,14,16-17H2,1-6H3,(H,36,39)(H,37,38)(H4,33,34,35)/t19?,23?,24-,25+,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50289585 ((3-{5-[(R)-4-Guanidino-1-((2S,6R)-2,9,9-trimethyl-...) Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)-c1ccc(s1)C(=O)N[C@@H](CCCNC(N)=N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:42:40:37:35| Show InChI InChI=1S/C31H44BN5O5S/c1-29(2,3)40-28(39)36-20-10-7-9-18(15-20)21-12-13-22(43-21)26(38)37-25(11-8-14-35-27(33)34)32-41-24-17-19-16-23(30(19,4)5)31(24,6)42-32/h7,9-10,12-13,15,19,23-25H,8,11,14,16-17H2,1-6H3,(H,36,39)(H,37,38)(H4,33,34,35)/t19?,23?,24-,25+,31+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	42	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
					More data for this Ligand-Target Pair