BDBM50289575 3-Methyl-2'-trifluoromethyl-biphenyl-4-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::CHEMBL41152

SMILES: Cc1cc(ccc1C(=O)N[C@@H](CCCNC(N)=N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1)-c1ccccc1C(F)(F)F

InChI Key: InChIKey=ZCUUOTWJAFUKOO-UYHYEMQQSA-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 = 50289575   

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))	BDBM50289575 (3-Methyl-2'-trifluoromethyl-biphenyl-4-carboxylic ...) Show SMILES Cc1cc(ccc1C(=O)N[C@@H](CCCNC(N)=N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1)-c1ccccc1C(F)(F)F |TLB:30:28:25:23| Show InChI InChI=1S/C30H38BF3N4O3/c1-17-14-18(21-8-5-6-9-22(21)30(32,33)34)11-12-20(17)26(39)38-25(10-7-13-37-27(35)36)31-40-24-16-19-15-23(28(19,2)3)29(24,4)41-31/h5-6,8-9,11-12,14,19,23-25H,7,10,13,15-16H2,1-4H3,(H,38,39)(H4,35,36,37)/t19?,23?,24-,25+,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.460	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
Trypsin-1 (Homo sapiens (Human))	BDBM50289575 (3-Methyl-2'-trifluoromethyl-biphenyl-4-carboxylic ...) Show SMILES Cc1cc(ccc1C(=O)N[C@@H](CCCNC(N)=N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1)-c1ccccc1C(F)(F)F |TLB:30:28:25:23| Show InChI InChI=1S/C30H38BF3N4O3/c1-17-14-18(21-8-5-6-9-22(21)30(32,33)34)11-12-20(17)26(39)38-25(10-7-13-37-27(35)36)31-40-24-16-19-15-23(28(19,2)3)29(24,4)41-31/h5-6,8-9,11-12,14,19,23-25H,7,10,13,15-16H2,1-4H3,(H,38,39)(H4,35,36,37)/t19?,23?,24-,25+,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.10	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