BDBM91688 S-phenylbenzoquinone tryptophan

SMILES: OC(=O)C(Cc1c[nH]c2ccccc12)=Nc1cc(O)c(Sc2ccccc2)cc1O

InChI Key: InChIKey=JGLHVZIWCIPYIN-PLRJNAJWSA-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 = 91688   

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
Tryptophanase (Escherichia coli)	BDBM91688 (S-phenylbenzoquinone tryptophan) Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)=Nc1cc(O)c(Sc2ccccc2)cc1O |w:14.16| Show InChI InChI=1S/C23H18N2O4S/c26-20-12-22(30-15-6-2-1-3-7-15)21(27)11-18(20)25-19(23(28)29)10-14-13-24-17-9-5-4-8-16(14)17/h1-9,11-13,24,26-27H,10H2,(H,28,29)/b25-19-	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.01E+8	-1.36	n/a	n/a	n/a	n/a	n/a	7.8	25
Ben-Gurion University of the Negev					Assay Description Enzyme inhibition assay using tryptophanase.				J Enzyme Inhib Med Chem 24: 350-5 (2009) Article DOI: 10.1080/14756360802187612 BindingDB Entry DOI: 10.7270/Q2N878DM
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