BDBM50391319 CHEMBL164109

SMILES: OC(=O)CCC\C=C(\c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccccc2[N+]([O-])=O)c1

InChI Key: InChIKey=DJPVNHLABTYAMF-LSHDLFTRSA-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 = 50391319   

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
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM50391319 (CHEMBL164109) Show SMILES OC(=O)CCC\C=C(\c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccccc2[N+]([O-])=O)c1 Show InChI InChI=1S/C25H25N3O6S/c29-25(30)13-4-1-10-22(21-9-6-15-26-18-21)20-8-5-7-19(17-20)14-16-27-35(33,34)24-12-3-2-11-23(24)28(31)32/h2-3,5-12,15,17-18,27H,1,4,13-14,16H2,(H,29,30)/b22-10+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of collagen-induced thromboxane A2 production in human whole blood				Bioorg Med Chem Lett 1: 699-704 (1991) Article DOI: 10.1016/S0960-894X(01)81051-9 BindingDB Entry DOI: 10.7270/Q2WD41RM
					More data for this Ligand-Target Pair