BDBM50288619 Boropeptide::CHEMBL3037937

SMILES: Cl.NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCC[C@H]1c1ccccc1)B(O)O

InChI Key: InChIKey=VWCNCKHNISIERZ-BPTVFYIFSA-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 = 50288619   

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))	BDBM50288619 (Boropeptide | CHEMBL3037937) Show SMILES Cl.NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCC[C@H]1c1ccccc1)B(O)O Show InChI InChI=1S/C22H34BN3O4.ClH/c24-14-6-13-20(23(29)30)25-21(27)19-12-7-15-26(19)22(28)18-11-5-4-10-17(18)16-8-2-1-3-9-16;/h1-3,8-9,17-20,29-30H,4-7,10-15,24H2,(H,25,27);1H/t17-,18+,19-,20-;/m0./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 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