BDBM50288616 (S)-1-[(3S,4R)-4-(3-Trifluoromethyl-phenyl)-pyrrolidine-3-carbonyl]-pyrrolidine-2-carboxylic acid [(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]-amide; dihydrochloride::CHEMBL2448352

SMILES: Cl.Cl.[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CNC[C@H]1c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=POUFIHAMCPXMQW-SQPUSVMLSA-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 = 50288616   

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))	BDBM50288616 ((S)-1-[(3S,4R)-4-(3-Trifluoromethyl-phenyl)-pyrrol...) Show SMILES Cl.Cl.[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CNC[C@H]1c1cccc(c1)C(F)(F)F |TLB:11:10:7:4,THB:12:10:7:4,14:15:7:4| Show InChI InChI=1S/C32H46BF3N4O4.2ClH/c1-30(2)21-15-25(30)31(3)26(16-21)43-33(44-31)27(11-4-5-12-37)39-28(41)24-10-7-13-40(24)29(42)23-18-38-17-22(23)19-8-6-9-20(14-19)32(34,35)36;;/h6,8-9,14,21-27,38H,4-5,7,10-13,15-18,37H2,1-3H3,(H,39,41);2*1H/t21-,22-,23+,24-,25-,26+,27-,31-;;/m0../s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity against thrombin.				Bioorg Med Chem Lett 6: 295-300 (1996) Article DOI: 10.1016/0960-894X(96)00015-7 BindingDB Entry DOI: 10.7270/Q2DZ089B
					More data for this Ligand-Target Pair