BDBM50288626 (S)-1-(3-Phenoxy-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::CHEMBL2448373

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(Oc2ccccc2)c1

InChI Key: InChIKey=YEZYXUGDSVYNQH-GUVYTMEVSA-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 = 50288626   

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))	BDBM50288626 ((S)-1-(3-Phenoxy-benzoyl)-pyrrolidine-2-carboxylic...) 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(Oc2ccccc2)c1 |TLB:10:9:6:3,THB:11:9:6:3,13:14:6:3| Show InChI InChI=1S/C33H44BN3O5.ClH/c1-32(2)23-20-27(32)33(3)28(21-23)41-34(42-33)29(16-7-8-17-35)36-30(38)26-15-10-18-37(26)31(39)22-11-9-14-25(19-22)40-24-12-5-4-6-13-24;/h4-6,9,11-14,19,23,26-29H,7-8,10,15-18,20-21,35H2,1-3H3,(H,36,38);1H/t23-,26-,27-,28+,29-,33-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.360	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