BDBM50288625 (S)-1-[3-(3-Fluoro-benzyl)-benzoyl]-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; hydrochloride::CHEMBL2448357

SMILES: 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)c1cccc(Cc2cccc(F)c2)c1

InChI Key: InChIKey=QUVRUEDBOOFCDP-KCUCIYTPSA-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 = 50288625   

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))	BDBM50288625 ((S)-1-[3-(3-Fluoro-benzyl)-benzoyl]-pyrrolidine-2-...) Show SMILES 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)c1cccc(Cc2cccc(F)c2)c1 |TLB:10:9:6:3,THB:11:9:6:3,13:14:6:3| Show InChI InChI=1S/C34H45BFN3O4.ClH/c1-33(2)25-20-28(33)34(3)29(21-25)42-35(43-34)30(14-4-5-15-37)38-31(40)27-13-8-16-39(27)32(41)24-11-6-9-22(18-24)17-23-10-7-12-26(36)19-23;/h6-7,9-12,18-19,25,27-30H,4-5,8,13-17,20-21,37H2,1-3H3,(H,38,40);1H/t25-,27-,28-,29+,30-,34-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human thrombin.				Bioorg Med Chem Lett 6: 301-306 (1996) Article DOI: 10.1016/0960-894X(96)00016-9 BindingDB Entry DOI: 10.7270/Q2959HJX
					More data for this Ligand-Target Pair