BDBM50003792 8-(4-Fluoro-benzenesulfonylamino)-4-(3-pyridin-3-yl-propyl)-octanoic acid::CHEMBL136762

SMILES: OC(=O)CCC(CCCCNS(=O)(=O)c1ccc(F)cc1)CCCc1cccnc1

InChI Key: InChIKey=TYYCNSUODPEVQP-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 = 50003792   

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))	BDBM50003792 (8-(4-Fluoro-benzenesulfonylamino)-4-(3-pyridin-3-y...) Show SMILES OC(=O)CCC(CCCCNS(=O)(=O)c1ccc(F)cc1)CCCc1cccnc1 Show InChI InChI=1S/C22H29FN2O4S/c23-20-10-12-21(13-11-20)30(28,29)25-16-2-1-5-18(9-14-22(26)27)6-3-7-19-8-4-15-24-17-19/h4,8,10-13,15,17-18,25H,1-3,5-7,9,14,16H2,(H,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of Thromboxane A2 synthase				J Med Chem 35: 4373-83 (1992) BindingDB Entry DOI: 10.7270/Q2F47N3W
					More data for this Ligand-Target Pair