BDBM91644 2,3,4,5-Tetrahydro-1,5-benzothiazepine analog (2S,4R), 6

SMILES: Oc1ccccc1C1CC(Sc2ccccc2N1)c1ccccc1

InChI Key: InChIKey=ZJBNTOVKONIHLQ-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 = 91644   

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))	BDBM91644 (2,3,4,5-Tetrahydro-1,5-benzothiazepine analog (2S,...) Show SMILES Oc1ccccc1C1CC(Sc2ccccc2N1)c1ccccc1 Show InChI InChI=1S/C21H19NOS/c23-19-12-6-4-10-16(19)18-14-21(15-8-2-1-3-9-15)24-20-13-7-5-11-17(20)22-18/h1-13,18,21-23H,14H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.12E+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