BDBM50323710 (1R,2R,3S,4R,6S)-3,6-dihydroxycyclohexane-1,2,4-triyl triphosphate::CHEMBL1213201

SMILES: O[C@H]1C[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O

InChI Key: InChIKey=GHYKQXTYUPPQMF-DSOBHZJASA-N

Data: 3 Kd  1 EC50

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 4 hits for monomerid = 50323710   

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 receptor type 1 (Rattus norvegicus)	BDBM50323710 ((1R,2R,3S,4R,6S)-3,6-dihydroxycyclohexane-1,2,4-tr...) Show SMILES O[C@H]1C[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O |r| Show InChI InChI=1S/C6H15O14P3/c7-2-1-3(18-21(9,10)11)4(8)6(20-23(15,16)17)5(2)19-22(12,13)14/h2-8H,1H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)/t2-,3+,4-,5+,6+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Agonist activity at rat recombinant IP3R1 expressed in chicken DT40 cells assessed as calcium release from intracellular stores				Nat Chem Biol 5: 631-9 (2009) Article DOI: 10.1038/nchembio.195 BindingDB Entry DOI: 10.7270/Q2C53M27
					More data for this Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 1 (Rattus norvegicus)	BDBM50323710 ((1R,2R,3S,4R,6S)-3,6-dihydroxycyclohexane-1,2,4-tr...) Show SMILES O[C@H]1C[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O |r| Show InChI InChI=1S/C6H15O14P3/c7-2-1-3(18-21(9,10)11)4(8)6(20-23(15,16)17)5(2)19-22(12,13)14/h2-8H,1H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)/t2-,3+,4-,5+,6+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Displacement of [3H]IP3 from rat recombinant IP3R1 binding core residue (224-604) expressed in chicken DT40 cells by equilibrium competitive binding ...				Nat Chem Biol 5: 631-9 (2009) Article DOI: 10.1038/nchembio.195 BindingDB Entry DOI: 10.7270/Q2C53M27
					More data for this Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 1 (Rattus norvegicus)	BDBM50323710 ((1R,2R,3S,4R,6S)-3,6-dihydroxycyclohexane-1,2,4-tr...) Show SMILES O[C@H]1C[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O |r| Show InChI InChI=1S/C6H15O14P3/c7-2-1-3(18-21(9,10)11)4(8)6(20-23(15,16)17)5(2)19-22(12,13)14/h2-8H,1H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)/t2-,3+,4-,5+,6+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.01	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Displacement of [3H]IP3 from rat recombinant N-terminal IP3R1 (1-604) expressed in chicken DT40 cells by equilibrium competitive binding assay				Nat Chem Biol 5: 631-9 (2009) Article DOI: 10.1038/nchembio.195 BindingDB Entry DOI: 10.7270/Q2C53M27
					More data for this Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 1 (Rattus norvegicus)	BDBM50323710 ((1R,2R,3S,4R,6S)-3,6-dihydroxycyclohexane-1,2,4-tr...) Show SMILES O[C@H]1C[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O |r| Show InChI InChI=1S/C6H15O14P3/c7-2-1-3(18-21(9,10)11)4(8)6(20-23(15,16)17)5(2)19-22(12,13)14/h2-8H,1H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)/t2-,3+,4-,5+,6+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	17.1	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Displacement of [3H]IP3 from full-length rat recombinant IP3R1 expressed in chicken DT40 cells by equilibrium competitive binding assay				Nat Chem Biol 5: 631-9 (2009) Article DOI: 10.1038/nchembio.195 BindingDB Entry DOI: 10.7270/Q2C53M27
					More data for this Ligand-Target Pair