BDBM91642 Dihydro-1,5-benzothiazepine analog, 4

SMILES: Oc1ccccc1C1=Nc2ccccc2SC(C1)c1ccc(OC=O)c(OC=O)c1

InChI Key: InChIKey=XCAQJQDPFVSLPX-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 = 91642   

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))	BDBM91642 (Dihydro-1,5-benzothiazepine analog, 4) Show SMILES Oc1ccccc1C1=Nc2ccccc2SC(C1)c1ccc(OC=O)c(OC=O)c1 |t:8| Show InChI InChI=1S/C23H17NO5S/c25-13-28-20-10-9-15(11-21(20)29-14-26)23-12-18(16-5-1-3-7-19(16)27)24-17-6-2-4-8-22(17)30-23/h1-11,13-14,23,27H,12H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.91E+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