BDBM50026531 2,2-Dimethyl-7-pyridin-3-yl-7-thiophen-2-yl-hept-6-enoic acid::CHEMBL98477

SMILES: CC(C)(CCC\C=C(/c1cccs1)c1cccnc1)C(O)=O

InChI Key: InChIKey=GHLGYKHZQGQNMQ-NVNXTCNLSA-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 = 50026531   

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))	BDBM50026531 (2,2-Dimethyl-7-pyridin-3-yl-7-thiophen-2-yl-hept-6...) Show SMILES CC(C)(CCC\C=C(/c1cccs1)c1cccnc1)C(O)=O Show InChI InChI=1S/C18H21NO2S/c1-18(2,17(20)21)10-4-3-8-15(16-9-6-12-22-16)14-7-5-11-19-13-14/h5-9,11-13H,3-4,10H2,1-2H3,(H,20,21)/b15-8-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes				J Med Chem 28: 287-94 (1985) BindingDB Entry DOI: 10.7270/Q2P26ZPB
					More data for this Ligand-Target Pair