Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Inositol 1,4,5-trisphosphate receptor type 3' and Ligand = 'BDBM50132166'   

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
Inositol 1,4,5-trisphosphate receptor type 3 (Bos taurus)	BDBM50132166 (1,2,4,5-InsP4 | CHEMBL100498 | Phosphoric acid mon...) Show SMILES OC1C(OP(O)(O)=O)C(OP(O)(O)=O)C(O)C(OP(O)(O)=O)C1OP(O)(O)=O |(-1.78,1.18,;-.25,1.18,;.51,2.53,;-.83,3.3,;-2.32,3.7,;-2.32,5.24,;-3.81,3.3,;-3.41,4.81,;2.14,1.91,;2.13,3.44,;1.73,4.93,;3.27,4.93,;.64,6.03,;2.13,6.44,;3.4,2.33,;3.4,3.88,;2.64,.99,;4.13,.6,;4.52,-.89,;6.06,-.89,;4.12,-2.37,;2.99,-.89,;.93,1.6,;.52,.12,;.52,-1.42,;-.97,-1.81,;1.28,-2.75,;.12,-2.89,)| Show InChI InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)5(23-27(15,16)17)2(8)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article	26.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]Ins(1,4,5)P3 from membranes prepared from bovine adrenal corticles				Bioorg Med Chem Lett 3: 1505-1510 (1993) Article DOI: 10.1016/S0960-894X(00)80007-4 BindingDB Entry DOI: 10.7270/Q27M08F4
					More data for this Ligand-Target Pair