BDBM14126 (2S)-N-{5-carbamimidamido-1-[6-(hydroxymethyl)-1,3-benzothiazol-2-yl]-1-oxopentan-2-yl}-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide::2-ketobenzothiazole 66

SMILES: [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccc(-[#6]-[#8])cc2s1

InChI Key: InChIKey=JOZFYQFQVKXWOD-NRSZHQCHSA-N

Data: 2 KI  1 IC50

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 = 14126   

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))	BDBM14126 ((2S)-N-{5-carbamimidamido-1-[6-(hydroxymethyl)-1,3...) Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccc(-[#6]-[#8])cc2s1 |r| Show InChI InChI=1S/C29H37N7O4S/c1-32-22(15-18-7-3-2-4-8-18)28(40)36-14-6-10-23(36)26(39)34-21(9-5-13-33-29(30)31)25(38)27-35-20-12-11-19(17-37)16-24(20)41-27/h2-4,7-8,11-12,16,21-23,32,37H,5-6,9-10,13-15,17H2,1H3,(H,34,39)(H4,30,31,33)/t21?,22-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
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
					More data for this Ligand-Target Pair
Trypsin (Bos taurus (bovine))	BDBM14126 ((2S)-N-{5-carbamimidamido-1-[6-(hydroxymethyl)-1,3...) Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccc(-[#6]-[#8])cc2s1 |r| Show InChI InChI=1S/C29H37N7O4S/c1-32-22(15-18-7-3-2-4-8-18)28(40)36-14-6-10-23(36)26(39)34-21(9-5-13-33-29(30)31)25(38)27-35-20-12-11-19(17-37)16-24(20)41-27/h2-4,7-8,11-12,16,21-23,32,37H,5-6,9-10,13-15,17H2,1H3,(H,34,39)(H4,30,31,33)/t21?,22-,23+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.30	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
					More data for this Ligand-Target Pair