BDBM50288411 CHEMBL100187::N-[(5-Amino-1-dihydroxyboranyl-pentylcarbamoyl)-methyl]-N-methyl-2-phenyl-acetamide

SMILES: CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)Cc1ccccc1

InChI Key: InChIKey=VPLBUOGKJQGYQO-AWEZNQCLSA-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 = 50288411   

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))	BDBM50288411 (CHEMBL100187 | N-[(5-Amino-1-dihydroxyboranyl-pent...) Show SMILES CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)Cc1ccccc1 Show InChI InChI=1S/C16H26BN3O4/c1-20(16(22)11-13-7-3-2-4-8-13)12-15(21)19-14(17(23)24)9-5-6-10-18/h2-4,7-8,14,23-24H,5-6,9-12,18H2,1H3,(H,19,21)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro for inhibition of thrombin.				Bioorg Med Chem Lett 6: 2913-2918 (1996) Article DOI: 10.1016/S0960-894X(96)00525-2 BindingDB Entry DOI: 10.7270/Q2V40V6S
					More data for this Ligand-Target Pair
Thrombin (Bos taurus (Bovine))	BDBM50288411 (CHEMBL100187 | N-[(5-Amino-1-dihydroxyboranyl-pent...) Show SMILES CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)Cc1ccccc1 Show InChI InChI=1S/C16H26BN3O4/c1-20(16(22)11-13-7-3-2-4-8-13)12-15(21)19-14(17(23)24)9-5-6-10-18/h2-4,7-8,14,23-24H,5-6,9-12,18H2,1H3,(H,19,21)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration necessary to double time for clot formation induced by bovine thrombin				Bioorg Med Chem Lett 6: 2913-2918 (1996) Article DOI: 10.1016/S0960-894X(96)00525-2 BindingDB Entry DOI: 10.7270/Q2V40V6S
					More data for this Ligand-Target Pair