BDBM91643 Dihydro-1,5-benzothiazepine analog, 5

SMILES: O=N(=O)c1ccc(cc1)C1CC(=Nc2ccccc2S1)c1ccccc1

InChI Key: InChIKey=HCOVSUWQMKZWAW-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 91643   

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
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM91643 (Dihydro-1,5-benzothiazepine analog, 5) Show SMILES O=N(=O)c1ccc(cc1)C1CC(=Nc2ccccc2S1)c1ccccc1 |c:12| Show InChI InChI=1S/C21H16N2O2S/c24-23(25)17-12-10-16(11-13-17)21-14-19(15-6-2-1-3-7-15)22-18-8-4-5-9-20(18)26-21/h1-13,21H,14H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University					Assay Description In vitro inhibition assay using jack bean urease.				J Enzyme Inhib Med Chem 24: 151-6 (2009) Article DOI: 10.1080/14756360801945598 BindingDB Entry DOI: 10.7270/Q29022CX
					More data for this Ligand-Target Pair