Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thromboxane A2 receptor' and Ligand = 'BDBM82222'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Thromboxane A2 receptor (MOUSE)	BDBM82222 (CAS_5311388 | EP045 | NSC_5311388) Show SMILES OC(=O)CCCC=CCC1C2CCC(C2)C1C=NNC(=O)Nc1ccccc1 |w:16.17,7.7,TLB:8:9:11.12:14,TEB:16:15:11.12:14| Show InChI InChI=1S/C22H29N3O3/c26-21(27)11-7-2-1-6-10-19-16-12-13-17(14-16)20(19)15-23-25-22(28)24-18-8-4-3-5-9-18/h1,3-6,8-9,15-17,19-20H,2,7,10-14H2,(H,26,27)(H2,24,25,28)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Edinburgh Curated by PDSP Ki Database									Br J Pharmacol 79: 953-64 (1983) Article DOI: 10.1111/j.1476-5381.1983.tb10541.x BindingDB Entry DOI: 10.7270/Q2SX6BPF
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