BDBM14300 benzthiazole analog 3::benzyl N-[(2S,4E)-6-amino-1-(1,3-benzothiazol-2-yl)-1-oxohex-4-en-2-yl]carbamate

SMILES: NCCCCC(=NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2s1

InChI Key: InChIKey=NMLVAPSCVXROFT-UHFFFAOYSA-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 = 14300   

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
Trypsin (Bos taurus (bovine))	BDBM14300 (benzthiazole analog 3 | benzyl N-[(2S,4E)-6-amino-...) Show SMILES NCCCCC(=NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2s1 |w:6.6| Show InChI InChI=1S/C21H21N3O3S/c22-13-7-6-11-17(24-21(26)27-14-15-8-2-1-3-9-15)19(25)20-23-16-10-4-5-12-18(16)28-20/h1-5,8-10,12H,6-7,11,13-14,22H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera					Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...				Biochemistry 45: 5964-73 (2006) Article DOI: 10.1021/bi060173m BindingDB Entry DOI: 10.7270/Q2W09450
					More data for this Ligand-Target Pair
Tryptase (Homo sapiens (Human))	BDBM14300 (benzthiazole analog 3 | benzyl N-[(2S,4E)-6-amino-...) Show SMILES NCCCCC(=NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2s1 |w:6.6| Show InChI InChI=1S/C21H21N3O3S/c22-13-7-6-11-17(24-21(26)27-14-15-8-2-1-3-9-15)19(25)20-23-16-10-4-5-12-18(16)28-20/h1-5,8-10,12H,6-7,11,13-14,22H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.50E+4	-6.21	n/a	n/a	n/a	n/a	n/a	7.4	22
Celera					Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...				Biochemistry 45: 5964-73 (2006) Article DOI: 10.1021/bi060173m BindingDB Entry DOI: 10.7270/Q2W09450
					More data for this Ligand-Target Pair