BDBM50480883 CHEMBL590951

SMILES: [H][C@]12C[C@@H](OP(=O)(Oc3ccc(cc3)[N+]([O-])=O)SCCO)C=C[C@]11CCN(C)Cc3ccc(OC)c(O2)c13

InChI Key: InChIKey=FNCCQAWXISUGLU-VJFLIXRMSA-N

Data: 1 EC50

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 = 50480883   

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
Catalase (Rattus norvegicus)	BDBM50480883 (CHEMBL590951) Show SMILES [H][C@]12C[C@@H](OP(=O)(Oc3ccc(cc3)[N+]([O-])=O)SCCO)C=C[C@]11CCN(C)Cc3ccc(OC)c(O2)c13 |r,c:22| Show InChI InChI=1S/C25H29N2O8PS/c1-26-12-11-25-10-9-20(15-22(25)33-24-21(32-2)8-3-17(16-26)23(24)25)35-36(31,37-14-13-28)34-19-6-4-18(5-7-19)27(29)30/h3-10,20,22,28H,11-16H2,1-2H3/t20-,22-,25-,36?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.30	n/a	n/a	n/a	n/a
Sri Venkateswara University Curated by ChEMBL					Assay Description Inhibition of catalase in Wistar rat brain				Eur J Med Chem 45: 203-9 (2010) Article DOI: 10.1016/j.ejmech.2009.09.045 BindingDB Entry DOI: 10.7270/Q2ZP48X4
					More data for this Ligand-Target Pair