BindingDB PrimarySearch

BDBM14074 (2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-oxopentan-2-yl]-1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxamide::2-ketobenzothiazole 14

SMILES: [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-c1nc2ccccc2s1

InChI Key: InChIKey=YRXHPMDKEZLJQE-GEVKEYJPSA-N

Data: 2 KI 1 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 14074
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Prothrombin (Homo sapiens (Human))	BDBM14074 ((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	-12.7	11	n/a	n/a	n/a	n/a	7.4	37
Johnson & Johnson Pharmaceutical					Assay Description Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...				J Med Chem 48: 1984-2008 (2005) Article DOI: 10.1021/jm0303857 BindingDB Entry DOI: 10.7270/Q2X0658X
Johnson & Johnson Pharmaceutical					More data for this Ligand-Target Pair
Trypsin (Bos taurus (bovine))	BDBM14074 ((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical					Assay Description Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...				J Med Chem 48: 1984-2008 (2005) Article DOI: 10.1021/jm0303857 BindingDB Entry DOI: 10.7270/Q2X0658X
Johnson & Johnson Pharmaceutical					More data for this Ligand-Target Pair