Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Inositol 1,4,5-trisphosphate receptor type 1' and Ligand = 'BDBM50111928'   

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 1 (Homo sapiens (Human))	BDBM50111928 (CHEMBL169923 | Phosphoric acid 3-[(naphthalene-1-c...) Show SMILES O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(=O)OCCCNC(=O)c1cccc2ccccc12 Show InChI InChI=1S/C20H28NO16P3/c22-14-15(23)18(35-38(26,27)28)19(36-39(29,30)31)16(24)17(14)37-40(32,33)34-10-4-9-21-20(25)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,14-19,22-24H,4,9-10H2,(H,21,25)(H,32,33)(H2,26,27,28)(H2,29,30,31)/t14-,15+,16+,17-,18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Dissociation constant of the compound was determined using IP3-binding domain (IBD) of human Type 1 inositol 1,4,5-trisphosphate receptor				Bioorg Med Chem Lett 12: 911-3 (2002) BindingDB Entry DOI: 10.7270/Q2HX1C0H
					More data for this Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 1 (Homo sapiens (Human))	BDBM50111928 (CHEMBL169923 | Phosphoric acid 3-[(naphthalene-1-c...) Show SMILES O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(=O)OCCCNC(=O)c1cccc2ccccc12 Show InChI InChI=1S/C20H28NO16P3/c22-14-15(23)18(35-38(26,27)28)19(36-39(29,30)31)16(24)17(14)37-40(32,33)34-10-4-9-21-20(25)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,14-19,22-24H,4,9-10H2,(H,21,25)(H,32,33)(H2,26,27,28)(H2,29,30,31)/t14-,15+,16+,17-,18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Dissociation constant of the compound was determined using IP3-binding domain (IBD) of human Type 1 inositol 1,4,5-trisphosphate receptor				Bioorg Med Chem Lett 12: 911-3 (2002) BindingDB Entry DOI: 10.7270/Q2HX1C0H
					More data for this Ligand-Target Pair