BDBM50040911 (+)-myo-inositol 1,4,5-trisphosphorothioate::(-)-chiro-inositol 1,4,6-trisphosphorothioate::1,4,5-trisphosphate 5-phosphatase derivatives::Inositol 1,4,5-trisphosphorothioate::L-(1,4,5)PS3::{[2,5-bis({[dioxido(sulfanylidene)--phosphanyl]oxy})-3,4,6-trihydroxycyclohexyl]oxy}(sulfanylidene)phosphonite

SMILES: OC1C(O)C(OP([O-])([O-])=S)C(OP([O-])([O-])=S)C(O)C1OP([O-])([O-])=S

InChI Key: InChIKey=BZIDQHFQSPKXER-UHFFFAOYSA-H

Data: 1 KI  2 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 3 hits for monomerid = 50040911   

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
Inositol 1,4,5-trisphosphate 3 kinase C (Rattus norvegicus)	BDBM50040911 ((+)-myo-inositol 1,4,5-trisphosphorothioate | (-)-...) Show SMILES OC1C(O)C(OP([O-])([O-])=S)C(OP([O-])([O-])=S)C(O)C1OP([O-])([O-])=S Show InChI InChI=1S/C6H15O12P3S3/c7-1-2(8)5(17-20(12,13)23)6(18-21(14,15)24)3(9)4(1)16-19(10,11)22/h1-9H,(H2,10,11,22)(H2,12,13,23)(H2,14,15,24)/p-6	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	9.78E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the ability to inhibit Ins(1,4,5)P 3-phosphatase				Bioorg Med Chem Lett 2: 1523-1528 (1992) Article DOI: 10.1016/S0960-894X(00)80421-7 BindingDB Entry DOI: 10.7270/Q2NZ8849
					More data for this Ligand-Target Pair
Type 1 InsP3 receptor isoform S2 (Sus scrofa)	BDBM50040911 ((+)-myo-inositol 1,4,5-trisphosphorothioate | (-)-...) Show SMILES OC1C(O)C(OP([O-])([O-])=S)C(OP([O-])([O-])=S)C(O)C1OP([O-])([O-])=S Show InChI InChI=1S/C6H15O12P3S3/c7-1-2(8)5(17-20(12,13)23)6(18-21(14,15)24)3(9)4(1)16-19(10,11)22/h1-9H,(H2,10,11,22)(H2,12,13,23)(H2,14,15,24)/p-6	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	6.8	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Binding affinity against IP3 receptor in pig cerebellar membranes at a pH of 6.8 using [3H]Ins(1,4,5)P3 as the radioligand.				J Med Chem 37: 868-72 (1994) BindingDB Entry DOI: 10.7270/Q2BG2PN3
					More data for this Ligand-Target Pair
Type 1 InsP3 receptor isoform S2 (Sus scrofa)	BDBM50040911 ((+)-myo-inositol 1,4,5-trisphosphorothioate | (-)-...) Show SMILES OC1C(O)C(OP([O-])([O-])=S)C(OP([O-])([O-])=S)C(O)C1OP([O-])([O-])=S Show InChI InChI=1S/C6H15O12P3S3/c7-1-2(8)5(17-20(12,13)23)6(18-21(14,15)24)3(9)4(1)16-19(10,11)22/h1-9H,(H2,10,11,22)(H2,12,13,23)(H2,14,15,24)/p-6	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	7.6	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Binding affinity against IP3 receptor in pig cerebellar membranes at a pH of 7.6 using [3H]Ins(1,4,5)P3 as the radioligand.				J Med Chem 37: 868-72 (1994) BindingDB Entry DOI: 10.7270/Q2BG2PN3
					More data for this Ligand-Target Pair