BDBM14307 (2R)-N-[(1S)-1-{[6-amino-1-(1,3-benzothiazol-2-yl)-1-oxohexan-2-yl]carbamoyl}-2-phenylethyl]-3-phenyl-2-(phenylmethane)sulfonamidopropanamide::CRA11

SMILES: NCCCCC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nc2ccccc2s1

InChI Key: InChIKey=BPLWKQREVDBESU-ADIDXWPESA-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 = 14307   

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
Tryptase (Homo sapiens (Human))	BDBM14307 ((2R)-N-[(1S)-1-{[6-amino-1-(1,3-benzothiazol-2-yl)...) Show SMILES NCCCCC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C38H41N5O5S2/c39-23-13-12-21-31(35(44)38-42-30-20-10-11-22-34(30)49-38)40-36(45)32(24-27-14-4-1-5-15-27)41-37(46)33(25-28-16-6-2-7-17-28)43-50(47,48)26-29-18-8-3-9-19-29/h1-11,14-20,22,31-33,43H,12-13,21,23-26,39H2,(H,40,45)(H,41,46)/t31?,32-,33+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	23	-10.3	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