Compile Data Set for Download or QSAR

Found 122 hits Enz. Inhib. hit(s) with Target = 'Inositol 1,4,5-trisphosphate receptor type 1'   

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 1/2/3 (Homo sapiens (Human))	BDBM50211666 (CHEMBL1161456) Show SMILES OC1CC(OP(O)(O)=O)C(O)C(OP(O)(O)=O)C1OP(O)(O)=O 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)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article	2.92E+5	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 inhibit Inositol phosphorylation				Bioorg Med Chem Lett 1: 705-710 (1991) Article DOI: 10.1016/S0960-894X(01)81052-0 BindingDB Entry DOI: 10.7270/Q2348KV6
					More data for this Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 1 (Homo sapiens (Human))	BDBM50075183 (1,4,5-Insp3 | 1D-myo-inositol 1,4,5-triphosphate |...) 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)=O Show InChI InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Ins(1,4,5)P3 receptor in swiss 3T3 cells				Bioorg Med Chem Lett 5: 1225-1230 (1995) Article DOI: 10.1016/0960-894X(95)00200-D BindingDB Entry DOI: 10.7270/Q21836F4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inositol 1,4,5-trisphosphate receptor type 1 (Homo sapiens (Human))	BDBM50111931 (CHEMBL434103 | Phosphoric acid 3-(4-pyren-1-yl-but...) 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)CCCc1ccc2ccc3cccc4ccc1c2c34 Show InChI InChI=1S/C29H36NO16P3/c31-21(7-2-4-16-8-9-19-11-10-17-5-1-6-18-12-13-20(16)23(19)22(17)18)30-14-3-15-43-49(41,42)46-27-24(32)25(33)28(44-47(35,36)37)29(26(27)34)45-48(38,39)40/h1,5-6,8-13,24-29,32-34H,2-4,7,14-15H2,(H,30,31)(H,41,42)(H2,35,36,37)(H2,38,39,40)/t24-,25+,26+,27-,28-,29-/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	140	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))	BDBM50078573 (CHEMBL297235 | Phosphoric acid 3-amino-propyl este...) Show SMILES NCCCOP(O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O Show InChI InChI=1S/C9H22NO15P3/c10-2-1-3-22-28(20,21)25-7-4(11)5(12)8(23-26(14,15)16)9(6(7)13)24-27(17,18)19/h4-9,11-13H,1-3,10H2,(H,20,21)(H2,14,15,16)(H2,17,18,19)/t4-,5+,6+,7-,8-,9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.50E+3	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))	BDBM50078572 (CHEMBL172534 | CHEMBL297496 | {4-[(4-Dimethylamino...) Show SMILES CN(C)c1ccc(cc1)[C+](c1ccc(cc1)N(C)C)c1ccc(cc1)C(=O)NCCCOP(O)(=O)OC1C(O)C(O)C(OP(O)(O)=O)C(OP(O)(O)=O)C1O Show InChI InChI=1S/C33H44N3O16P3/c1-35(2)24-14-10-21(11-15-24)26(22-12-16-25(17-13-22)36(3)4)20-6-8-23(9-7-20)33(40)34-18-5-19-49-55(47,48)52-30-27(37)28(38)31(50-53(41,42)43)32(29(30)39)51-54(44,45)46/h6-17,27-32,37-39H,5,18-19H2,1-4H3,(H5-,34,40,41,42,43,44,45,46,47,48)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.20	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
Inositol 1,4,5-trisphosphate receptor type 1 (Homo sapiens (Human))	BDBM50111932 (CHEMBL369479 | inositol 1,4,5-Trisphosphate analog...) Show SMILES CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCCOP(O)(=O)O[C@@H]3[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]3O)c3ccc(cc3oc2c1)=[N+](C)C |wU:39.40,28.28,29.30,31.32,wD:33.34,45.47,(21.01,-12.39,;19.67,-11.64,;18.34,-12.41,;19.66,-10.1,;18.32,-9.33,;18.3,-7.8,;19.63,-7.03,;19.63,-5.49,;18.28,-4.74,;16.95,-5.51,;15.61,-4.74,;15.61,-3.2,;16.93,-2.43,;18.27,-3.18,;19.09,-2.22,;20.61,-1.59,;18.68,-.77,;14.27,-2.45,;14.26,-.91,;12.94,-3.22,;11.6,-2.46,;10.28,-3.24,;8.94,-2.47,;7.61,-3.25,;6.07,-3.25,;6.07,-1.71,;6.07,-4.79,;4.58,-3.66,;3.24,-4.43,;1.91,-3.65,;1.91,-2.11,;.59,-4.43,;-.75,-3.66,;.59,-5.97,;-.75,-6.74,;-2.24,-7.14,;-3.78,-7.13,;-2.24,-8.68,;-2.64,-5.65,;1.91,-6.73,;1.91,-8.27,;1.91,-9.81,;3.45,-9.81,;1.89,-11.35,;.37,-9.81,;3.24,-5.97,;4.58,-6.74,;20.93,-4.71,;20.93,-3.16,;22.22,-2.4,;23.57,-3.15,;23.59,-4.69,;22.27,-5.46,;22.29,-7.01,;20.96,-7.79,;20.98,-9.32,;24.9,-2.36,;26.24,-3.13,;24.88,-.82,)| Show InChI InChI=1S/C34H42N3O19P3/c1-36(2)18-7-10-21-24(15-18)53-25-16-19(37(3)4)8-11-22(25)26(21)20-9-6-17(14-23(20)34(42)43)33(41)35-12-5-13-52-59(50,51)56-30-27(38)28(39)31(54-57(44,45)46)32(29(30)40)55-58(47,48)49/h6-11,14-16,27-32,38-40H,5,12-13H2,1-4H3,(H6-,35,41,42,43,44,45,46,47,48,49,50,51)/t27-,28+,29+,30-,31-,32-/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	620	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))	BDBM50075183 (1,4,5-Insp3 | 1D-myo-inositol 1,4,5-triphosphate |...) 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)=O Show InChI InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	n/a	260	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				3D Structure (crystal)
Inositol 1,4,5-trisphosphate receptor type 1 (Homo sapiens (Human))	BDBM50111929 (CHEMBL352326 | Phosphoric acid 3-{4-[bis-(4-dimeth...) Show SMILES CN(C)c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccc(cc1)C(=O)NCCCOP(O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O Show InChI InChI=1S/C33H46N3O16P3/c1-35(2)24-14-10-21(11-15-24)26(22-12-16-25(17-13-22)36(3)4)20-6-8-23(9-7-20)33(40)34-18-5-19-49-55(47,48)52-30-27(37)28(38)31(50-53(41,42)43)32(29(30)39)51-54(44,45)46/h6-17,26-32,37-39H,5,18-19H2,1-4H3,(H,34,40)(H,47,48)(H2,41,42,43)(H2,44,45,46)/t27-,28+,29+,30-,31-,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	3.20E+3	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 (Rattus norvegicus)	BDBM50184323 (CHEMBL379040 | phosphoric acid mono-{(2R,3R,4R,5R,...) Show SMILES OC[C@H]1O[C@H]([C@H](OP(O)(O)=O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O)n1ccc(=O)[nH]c1=O Show InChI InChI=1S/C15H25N2O20P3/c18-3-5-9(12(37-40(29,30)31)13(32-5)17-2-1-7(20)16-15(17)22)34-14-8(21)11(36-39(26,27)28)10(6(4-19)33-14)35-38(23,24)25/h1-2,5-6,8-14,18-19,21H,3-4H2,(H,16,20,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)/t5-,6-,8-,9-,10-,11-,12-,13-,14-/m1/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	4.60	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Agonistic potency at rat IP3 type 1 receptor expressed in chicken DT40 cells				J Med Chem 49: 1900-9 (2006) Article DOI: 10.1021/jm051039n BindingDB Entry DOI: 10.7270/Q2MK6CG5
					More data for this Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 1 (Rattus norvegicus)	BDBM50184324 (CHEMBL383049 | phosphoric acid mono-{(2R,3R,4R,5S,...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](C[C@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]2O)[C@H]1OP(O)(O)=O Show InChI InChI=1S/C17H28N5O17P3/c18-15-10-16(20-4-19-15)22(5-21-10)17-12(37-40(26,27)28)6(8(2-23)36-17)1-7-11(25)14(39-42(32,33)34)13(9(3-24)35-7)38-41(29,30)31/h4-9,11-14,17,23-25H,1-3H2,(H2,18,19,20)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34)/t6-,7-,8-,9-,11+,12-,13-,14-,17-/m1/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	4	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Agonistic potency at rat IP3 type 1 receptor expressed in chicken DT40 cells				J Med Chem 49: 1900-9 (2006) Article DOI: 10.1021/jm051039n BindingDB Entry DOI: 10.7270/Q2MK6CG5
					More data for this Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 1 (Rattus norvegicus)	BDBM50184326 (CHEMBL380941 | phosphoric acid mono-[(2R,3R,4R,5S,...) Show SMILES OC[C@H]1O[C@H](CCCOP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O Show InChI InChI=1S/C9H21O15P3/c10-4-6-8(23-26(15,16)17)9(24-27(18,19)20)7(11)5(22-6)2-1-3-21-25(12,13)14/h5-11H,1-4H2,(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t5-,6-,7+,8-,9-/m1/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	213	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Agonistic potency at rat IP3 type 1 receptor expressed in chicken DT40 cells				J Med Chem 49: 1900-9 (2006) Article DOI: 10.1021/jm051039n BindingDB Entry DOI: 10.7270/Q2MK6CG5
					More data for this Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 1 (Rattus norvegicus)	BDBM50184329 (CHEMBL383659 | phosphoric acid mono-((2R,3R,4R,5S,...) Show SMILES OC[C@H]1O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O Show InChI InChI=1S/C7H17O15P3/c8-1-3-6(21-24(13,14)15)7(22-25(16,17)18)5(9)4(20-3)2-19-23(10,11)12/h3-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t3-,4+,5+,6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Agonistic potency at rat IP3 type 1 receptor expressed in chicken DT40 cells				J Med Chem 49: 1900-9 (2006) Article DOI: 10.1021/jm051039n BindingDB Entry DOI: 10.7270/Q2MK6CG5
					More data for this Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 1 (Rattus norvegicus)	BDBM50184325 (2-[5-(6-amino-9H-9-purinyl)-2-hydroxymethyl-4-oxyp...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]2O)[C@H]1OP(O)(O)=O Show InChI InChI=1S/C16H26N5O18P3/c17-13-7-14(19-3-18-13)21(4-20-7)15-12(39-42(31,32)33)9(5(1-22)34-15)36-16-8(24)11(38-41(28,29)30)10(6(2-23)35-16)37-40(25,26)27/h3-6,8-12,15-16,22-24H,1-2H2,(H2,17,18,19)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)/t5-,6-,8-,9-,10-,11-,12-,15-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.10	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Agonistic potency at rat IP3 type 1 receptor expressed in chicken DT40 cells				J Med Chem 49: 1900-9 (2006) Article DOI: 10.1021/jm051039n BindingDB Entry DOI: 10.7270/Q2MK6CG5
					More data for this Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 1 (Rattus norvegicus)	BDBM50184328 (CHEMBL204903 | phosphoric acid mono-[(2R,3R,4R,5S,...) Show SMILES OC[C@H]1O[C@@H](CCOP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O Show InChI InChI=1S/C8H19O15P3/c9-3-5-7(22-25(14,15)16)8(23-26(17,18)19)6(10)4(21-5)1-2-20-24(11,12)13/h4-10H,1-3H2,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)/t4-,5+,6-,7+,8+/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	2.04E+3	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Agonistic potency at rat IP3 type 1 receptor expressed in chicken DT40 cells				J Med Chem 49: 1900-9 (2006) Article DOI: 10.1021/jm051039n BindingDB Entry DOI: 10.7270/Q2MK6CG5
					More data for this Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 1 (Rattus norvegicus)	BDBM50075183 (1,4,5-Insp3 | 1D-myo-inositol 1,4,5-triphosphate |...) 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)=O Show InChI InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	24.8	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Agonistic potency at rat IP3 type 1 receptor expressed in chicken DT40 cells				J Med Chem 49: 1900-9 (2006) Article DOI: 10.1021/jm051039n BindingDB Entry DOI: 10.7270/Q2MK6CG5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inositol 1,4,5-trisphosphate receptor type 1 (Rattus norvegicus)	BDBM50184327 (CHEMBL205303 | phosphoric acid mono-[(2R,3R,4R,5S,...) Show SMILES OC[C@H]1O[C@@H](CCCOP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O Show InChI InChI=1S/C9H21O15P3/c10-4-6-8(23-26(15,16)17)9(24-27(18,19)20)7(11)5(22-6)2-1-3-21-25(12,13)14/h5-11H,1-4H2,(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t5-,6+,7-,8+,9+/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	4.43E+3	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Agonistic potency at rat IP3 type 1 receptor expressed in chicken DT40 cells				J Med Chem 49: 1900-9 (2006) Article DOI: 10.1021/jm051039n BindingDB Entry DOI: 10.7270/Q2MK6CG5
					More data for this Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 1 (Rattus norvegicus)	BDBM50184331 (CHEMBL204253 | phosphoric acid mono-((2R,3R,4R,5S,...) Show SMILES OC[C@H]1O[C@H](COP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O Show InChI InChI=1S/C7H17O15P3/c8-1-3-6(21-24(13,14)15)7(22-25(16,17)18)5(9)4(20-3)2-19-23(10,11)12/h3-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t3-,4-,5+,6-,7-/m1/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	394	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Agonistic potency at rat IP3 type 1 receptor expressed in chicken DT40 cells				J Med Chem 49: 1900-9 (2006) Article DOI: 10.1021/jm051039n BindingDB Entry DOI: 10.7270/Q2MK6CG5
					More data for this Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 1 (Rattus norvegicus)	BDBM50184332 (CHEMBL382185 | phosphoric acid mono-{(2R,3R,4R,5S,...) Show SMILES OC[C@H]1O[C@H]([C@H](OP(O)(O)=O)[C@@H]1C[C@H]1O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O)n1ccc(=O)[nH]c1=O Show InChI InChI=1S/C16H27N2O19P3/c19-4-8-6(12(35-38(24,25)26)15(34-8)18-2-1-10(21)17-16(18)23)3-7-11(22)14(37-40(30,31)32)13(9(5-20)33-7)36-39(27,28)29/h1-2,6-9,11-15,19-20,22H,3-5H2,(H,17,21,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)/t6-,7-,8-,9-,11+,12-,13-,14-,15-/m1/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	11.3	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Agonistic potency at rat IP3 type 1 receptor expressed in chicken DT40 cells				J Med Chem 49: 1900-9 (2006) Article DOI: 10.1021/jm051039n BindingDB Entry DOI: 10.7270/Q2MK6CG5
					More data for this Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 1 (Rattus norvegicus)	BDBM50184330 (CHEMBL205008 | phosphoric acid mono-[(2R,3R,4R,5S,...) Show SMILES OC[C@H]1O[C@H](CCOP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O Show InChI InChI=1S/C8H19O15P3/c9-3-5-7(22-25(14,15)16)8(23-26(17,18)19)6(10)4(21-5)1-2-20-24(11,12)13/h4-10H,1-3H2,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)/t4-,5-,6+,7-,8-/m1/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	49.2	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Agonistic potency at rat IP3 type 1 receptor expressed in chicken DT40 cells				J Med Chem 49: 1900-9 (2006) Article DOI: 10.1021/jm051039n BindingDB Entry DOI: 10.7270/Q2MK6CG5
					More data for this Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 1 (Rattus norvegicus)	BDBM50075183 (1,4,5-Insp3 | 1D-myo-inositol 1,4,5-triphosphate |...) 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)=O Show InChI InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	20	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				3D Structure (crystal)
Inositol 1,4,5-trisphosphate receptor type 1 (Rattus norvegicus)	BDBM50184325 (2-[5-(6-amino-9H-9-purinyl)-2-hydroxymethyl-4-oxyp...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]2O)[C@H]1OP(O)(O)=O Show InChI InChI=1S/C16H26N5O18P3/c17-13-7-14(19-3-18-13)21(4-20-7)15-12(39-42(31,32)33)9(5(1-22)34-15)36-16-8(24)11(38-41(28,29)30)10(6(2-23)35-16)37-40(25,26)27/h3-6,8-12,15-16,22-24H,1-2H2,(H2,17,18,19)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)/t5-,6-,8-,9-,10-,11-,12-,15-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.5	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)	BDBM50323704 (CHEMBL1213158) Show SMILES O[C@H]1[C@@H](OCCNC(=O)NCCO[C@@H]2[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]2OP(O)(O)=O)[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/C17H40N2O31P6/c20-5-9(11(45-51(25,26)27)7(22)15(49-55(37,38)39)13(5)47-53(31,32)33)43-3-1-18-17(24)19-2-4-44-10-6(21)14(48-54(34,35)36)16(50-56(40,41)42)8(23)12(10)46-52(28,29)30/h5-16,20-23,37-39,55H,1-4H2,(H2,18,19,24)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,40,41,42)/t5-,6-,7-,8-,9+,10+,11-,12-,13+,14+,15+,16+/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	2.70	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)	BDBM50323705 (CHEMBL1213159) Show SMILES O[C@H]1[C@@H](OCCNC(=O)OCCOCCOCCOCCOCCOCCOC(=O)NCCO[C@@H]2[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]2OP(O)(O)=O)[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/C30H64N2O39P6/c33-17-21(23(66-72(39,40)41)19(35)27(70-76(51,52)53)25(17)68-74(45,46)47)62-3-1-31-29(37)64-15-13-60-11-9-58-7-5-57-6-8-59-10-12-61-14-16-65-30(38)32-2-4-63-22-18(34)26(69-75(48,49)50)28(71-77(54,55)56)20(36)24(22)67-73(42,43)44/h17-28,33-36,51-53,76H,1-16H2,(H,31,37)(H,32,38)(H2,39,40,41)(H2,42,43,44)(H2,45,46,47)(H2,48,49,50)(H2,54,55,56)/t17-,18-,19-,20-,21+,22+,23-,24-,25+,26+,27+,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.90	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)	BDBM50323706 (CHEMBL1212943) Show SMILES O[C@@H]1[C@H](OCCNC(=O)NCCO[C@@H]2[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]2OP(O)(O)=O)[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/C17H40N2O31P6/c20-5-9(11(45-51(25,26)27)7(22)15(49-55(37,38)39)13(5)47-53(31,32)33)43-3-1-18-17(24)19-2-4-44-10-6(21)14(48-54(34,35)36)16(50-56(40,41)42)8(23)12(10)46-52(28,29)30/h5-16,20-23,37-39,55H,1-4H2,(H2,18,19,24)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,40,41,42)/t5-,6+,7-,8+,9+,10-,11-,12+,13+,14-,15+,16-/m1/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	5	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)	BDBM50323707 (CHEMBL1213160) Show SMILES O[C@H]1[C@@H](OCCNC(=O)NCCO[C@@H]2[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)O)[C@@H](OP(O)(O)=O)[C@@H]2OP(O)(O)=O)[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/C17H42N2O37P8/c20-5-7(8(49-57(23,24)25)6(21)10(51-59(29,30)31)9(5)50-58(26,27)28)47-3-1-18-17(22)19-2-4-48-11-12(52-60(32,33)34)14(54-62(38,39)40)16(56-64(44,45)46)15(55-63(41,42)43)13(11)53-61(35,36)37/h5-16,20-21,44-46,64H,1-4H2,(H2,18,19,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34)(H2,35,36,37)(H2,38,39,40)(H2,41,42,43)/t5-,6-,7+,8-,9+,10+,11-,12+,13-,14-,15+,16+/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	5	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)	BDBM50323708 (CHEMBL1213161) Show SMILES O[C@H]1[C@H](O)[C@@H](O)[C@@H](OCCNC(=O)NCCO[C@@H]2[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]2OP(O)(O)=O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C17H35N2O22P3/c20-5-6(21)8(23)12(9(24)7(5)22)37-3-1-18-17(27)19-2-4-38-13-10(25)15(40-43(31,32)33)16(41-44(34,35)36)11(26)14(13)39-42(28,29)30/h5-16,20-26H,1-4H2,(H2,18,19,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)/t5-,6-,7+,8+,9-,10-,11-,12+,13+,14-,15+,16+/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	21	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)	BDBM50323709 (CHEMBL1213163) Show SMILES O[C@H]1[C@@H](OCCNC(=O)C23CC4CC(CC(C4)C2)C3)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O |r,TLB:16:11:18:17.15.14,16:15:18:10.11.12,THB:14:13:10:17.15.16,14:15:10:18.13.12| Show InChI InChI=1S/C19H34NO16P3/c21-12-14(33-2-1-20-18(23)19-6-9-3-10(7-19)5-11(4-9)8-19)15(34-37(24,25)26)13(22)17(36-39(30,31)32)16(12)35-38(27,28)29/h9-17,21-22H,1-8H2,(H,20,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)/t9?,10?,11?,12-,13-,14+,15-,16+,17+,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	30	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	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)	BDBM50323711 ((1R,2R,3S,4S,5R,6S)-5-(2-aminoethoxy)-3,6-dihydrox...) Show SMILES NCCO[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)=O |r| Show InChI InChI=1S/C8H20NO15P3/c9-1-2-21-5-3(10)7(23-26(15,16)17)8(24-27(18,19)20)4(11)6(5)22-25(12,13)14/h3-8,10-11H,1-2,9H2,(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t3-,4-,5+,6-,7+,8+/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	42	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)	BDBM50075183 (1,4,5-Insp3 | 1D-myo-inositol 1,4,5-triphosphate |...) 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)=O Show InChI InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	12.5	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				3D Structure (crystal)
Inositol 1,4,5-trisphosphate receptor type 1 (Rattus norvegicus)	BDBM50184325 (2-[5-(6-amino-9H-9-purinyl)-2-hydroxymethyl-4-oxyp...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]2O)[C@H]1OP(O)(O)=O Show InChI InChI=1S/C16H26N5O18P3/c17-13-7-14(19-3-18-13)21(4-20-7)15-12(39-42(31,32)33)9(5(1-22)34-15)36-16-8(24)11(38-41(28,29)30)10(6(2-23)35-16)37-40(25,26)27/h3-6,8-12,15-16,22-24H,1-2H2,(H2,17,18,19)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)/t5-,6-,8-,9-,10-,11-,12-,15-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.26	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
Inositol 1,4,5-trisphosphate receptor type 1 (Rattus norvegicus)	BDBM50323704 (CHEMBL1213158) Show SMILES O[C@H]1[C@@H](OCCNC(=O)NCCO[C@@H]2[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]2OP(O)(O)=O)[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/C17H40N2O31P6/c20-5-9(11(45-51(25,26)27)7(22)15(49-55(37,38)39)13(5)47-53(31,32)33)43-3-1-18-17(24)19-2-4-44-10-6(21)14(48-54(34,35)36)16(50-56(40,41)42)8(23)12(10)46-52(28,29)30/h5-16,20-23,37-39,55H,1-4H2,(H2,18,19,24)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,40,41,42)/t5-,6-,7-,8-,9+,10+,11-,12-,13+,14+,15+,16+/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	0.450	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
Inositol 1,4,5-trisphosphate receptor type 1 (Rattus norvegicus)	BDBM50323705 (CHEMBL1213159) Show SMILES O[C@H]1[C@@H](OCCNC(=O)OCCOCCOCCOCCOCCOCCOC(=O)NCCO[C@@H]2[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]2OP(O)(O)=O)[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/C30H64N2O39P6/c33-17-21(23(66-72(39,40)41)19(35)27(70-76(51,52)53)25(17)68-74(45,46)47)62-3-1-31-29(37)64-15-13-60-11-9-58-7-5-57-6-8-59-10-12-61-14-16-65-30(38)32-2-4-63-22-18(34)26(69-75(48,49)50)28(71-77(54,55)56)20(36)24(22)67-73(42,43)44/h17-28,33-36,51-53,76H,1-16H2,(H,31,37)(H,32,38)(H2,39,40,41)(H2,42,43,44)(H2,45,46,47)(H2,48,49,50)(H2,54,55,56)/t17-,18-,19-,20-,21+,22+,23-,24-,25+,26+,27+,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.860	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
Inositol 1,4,5-trisphosphate receptor type 1 (Rattus norvegicus)	BDBM50323706 (CHEMBL1212943) Show SMILES O[C@@H]1[C@H](OCCNC(=O)NCCO[C@@H]2[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]2OP(O)(O)=O)[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/C17H40N2O31P6/c20-5-9(11(45-51(25,26)27)7(22)15(49-55(37,38)39)13(5)47-53(31,32)33)43-3-1-18-17(24)19-2-4-44-10-6(21)14(48-54(34,35)36)16(50-56(40,41)42)8(23)12(10)46-52(28,29)30/h5-16,20-23,37-39,55H,1-4H2,(H2,18,19,24)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,40,41,42)/t5-,6+,7-,8+,9+,10-,11-,12+,13+,14-,15+,16-/m1/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	0.900	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
Inositol 1,4,5-trisphosphate receptor type 1 (Rattus norvegicus)	BDBM50323707 (CHEMBL1213160) Show SMILES O[C@H]1[C@@H](OCCNC(=O)NCCO[C@@H]2[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)O)[C@@H](OP(O)(O)=O)[C@@H]2OP(O)(O)=O)[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/C17H42N2O37P8/c20-5-7(8(49-57(23,24)25)6(21)10(51-59(29,30)31)9(5)50-58(26,27)28)47-3-1-18-17(22)19-2-4-48-11-12(52-60(32,33)34)14(54-62(38,39)40)16(56-64(44,45)46)15(55-63(41,42)43)13(11)53-61(35,36)37/h5-16,20-21,44-46,64H,1-4H2,(H2,18,19,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34)(H2,35,36,37)(H2,38,39,40)(H2,41,42,43)/t5-,6-,7+,8-,9+,10+,11-,12+,13-,14-,15+,16+/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	0.890	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
Inositol 1,4,5-trisphosphate receptor type 1 (Rattus norvegicus)	BDBM50323708 (CHEMBL1213161) Show SMILES O[C@H]1[C@H](O)[C@@H](O)[C@@H](OCCNC(=O)NCCO[C@@H]2[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]2OP(O)(O)=O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C17H35N2O22P3/c20-5-6(21)8(23)12(9(24)7(5)22)37-3-1-18-17(27)19-2-4-38-13-10(25)15(40-43(31,32)33)16(41-44(34,35)36)11(26)14(13)39-42(28,29)30/h5-16,20-26H,1-4H2,(H2,18,19,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)/t5-,6-,7+,8+,9-,10-,11-,12+,13+,14-,15+,16+/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	7.82	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
Inositol 1,4,5-trisphosphate receptor type 1 (Rattus norvegicus)	BDBM50323709 (CHEMBL1213163) Show SMILES O[C@H]1[C@@H](OCCNC(=O)C23CC4CC(CC(C4)C2)C3)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O |r,TLB:16:11:18:17.15.14,16:15:18:10.11.12,THB:14:13:10:17.15.16,14:15:10:18.13.12| Show InChI InChI=1S/C19H34NO16P3/c21-12-14(33-2-1-20-18(23)19-6-9-3-10(7-19)5-11(4-9)8-19)15(34-37(24,25)26)13(22)17(36-39(30,31)32)16(12)35-38(27,28)29/h9-17,21-22H,1-8H2,(H,20,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)/t9?,10?,11?,12-,13-,14+,15-,16+,17+,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.62	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
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
Inositol 1,4,5-trisphosphate receptor type 1 (Rattus norvegicus)	BDBM50323711 ((1R,2R,3S,4S,5R,6S)-5-(2-aminoethoxy)-3,6-dihydrox...) Show SMILES NCCO[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)=O |r| Show InChI InChI=1S/C8H20NO15P3/c9-1-2-21-5-3(10)7(23-26(15,16)17)8(24-27(18,19)20)4(11)6(5)22-25(12,13)14/h3-8,10-11H,1-2,9H2,(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t3-,4-,5+,6-,7+,8+/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	43.6	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
Inositol 1,4,5-trisphosphate receptor type 1 (Rattus norvegicus)	BDBM50075183 (1,4,5-Insp3 | 1D-myo-inositol 1,4,5-triphosphate |...) 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)=O Show InChI InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	2.32	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				3D Structure (crystal)
Inositol 1,4,5-trisphosphate receptor type 1 (Rattus norvegicus)	BDBM50323704 (CHEMBL1213158) Show SMILES O[C@H]1[C@@H](OCCNC(=O)NCCO[C@@H]2[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]2OP(O)(O)=O)[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/C17H40N2O31P6/c20-5-9(11(45-51(25,26)27)7(22)15(49-55(37,38)39)13(5)47-53(31,32)33)43-3-1-18-17(24)19-2-4-44-10-6(21)14(48-54(34,35)36)16(50-56(40,41)42)8(23)12(10)46-52(28,29)30/h5-16,20-23,37-39,55H,1-4H2,(H2,18,19,24)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,40,41,42)/t5-,6-,7-,8-,9+,10+,11-,12-,13+,14+,15+,16+/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	0.410	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)	BDBM50323705 (CHEMBL1213159) Show SMILES O[C@H]1[C@@H](OCCNC(=O)OCCOCCOCCOCCOCCOCCOC(=O)NCCO[C@@H]2[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]2OP(O)(O)=O)[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/C30H64N2O39P6/c33-17-21(23(66-72(39,40)41)19(35)27(70-76(51,52)53)25(17)68-74(45,46)47)62-3-1-31-29(37)64-15-13-60-11-9-58-7-5-57-6-8-59-10-12-61-14-16-65-30(38)32-2-4-63-22-18(34)26(69-75(48,49)50)28(71-77(54,55)56)20(36)24(22)67-73(42,43)44/h17-28,33-36,51-53,76H,1-16H2,(H,31,37)(H,32,38)(H2,39,40,41)(H2,42,43,44)(H2,45,46,47)(H2,48,49,50)(H2,54,55,56)/t17-,18-,19-,20-,21+,22+,23-,24-,25+,26+,27+,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.470	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)	BDBM50323706 (CHEMBL1212943) Show SMILES O[C@@H]1[C@H](OCCNC(=O)NCCO[C@@H]2[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]2OP(O)(O)=O)[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/C17H40N2O31P6/c20-5-9(11(45-51(25,26)27)7(22)15(49-55(37,38)39)13(5)47-53(31,32)33)43-3-1-18-17(24)19-2-4-44-10-6(21)14(48-54(34,35)36)16(50-56(40,41)42)8(23)12(10)46-52(28,29)30/h5-16,20-23,37-39,55H,1-4H2,(H2,18,19,24)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,40,41,42)/t5-,6+,7-,8+,9+,10-,11-,12+,13+,14-,15+,16-/m1/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	0.420	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)	BDBM50323707 (CHEMBL1213160) Show SMILES O[C@H]1[C@@H](OCCNC(=O)NCCO[C@@H]2[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)O)[C@@H](OP(O)(O)=O)[C@@H]2OP(O)(O)=O)[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/C17H42N2O37P8/c20-5-7(8(49-57(23,24)25)6(21)10(51-59(29,30)31)9(5)50-58(26,27)28)47-3-1-18-17(22)19-2-4-48-11-12(52-60(32,33)34)14(54-62(38,39)40)16(56-64(44,45)46)15(55-63(41,42)43)13(11)53-61(35,36)37/h5-16,20-21,44-46,64H,1-4H2,(H2,18,19,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34)(H2,35,36,37)(H2,38,39,40)(H2,41,42,43)/t5-,6-,7+,8-,9+,10+,11-,12+,13-,14-,15+,16+/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	0.360	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)	BDBM50323708 (CHEMBL1213161) Show SMILES O[C@H]1[C@H](O)[C@@H](O)[C@@H](OCCNC(=O)NCCO[C@@H]2[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]2OP(O)(O)=O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C17H35N2O22P3/c20-5-6(21)8(23)12(9(24)7(5)22)37-3-1-18-17(27)19-2-4-38-13-10(25)15(40-43(31,32)33)16(41-44(34,35)36)11(26)14(13)39-42(28,29)30/h5-16,20-26H,1-4H2,(H2,18,19,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)/t5-,6-,7+,8+,9-,10-,11-,12+,13+,14-,15+,16+/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	2.81	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)	BDBM50323709 (CHEMBL1213163) Show SMILES O[C@H]1[C@@H](OCCNC(=O)C23CC4CC(CC(C4)C2)C3)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O |r,TLB:16:11:18:17.15.14,16:15:18:10.11.12,THB:14:13:10:17.15.16,14:15:10:18.13.12| Show InChI InChI=1S/C19H34NO16P3/c21-12-14(33-2-1-20-18(23)19-6-9-3-10(7-19)5-11(4-9)8-19)15(34-37(24,25)26)13(22)17(36-39(30,31)32)16(12)35-38(27,28)29/h9-17,21-22H,1-8H2,(H,20,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)/t9?,10?,11?,12-,13-,14+,15-,16+,17+,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.63	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	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)	BDBM50323711 ((1R,2R,3S,4S,5R,6S)-5-(2-aminoethoxy)-3,6-dihydrox...) Show SMILES NCCO[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)=O |r| Show InChI InChI=1S/C8H20NO15P3/c9-1-2-21-5-3(10)7(23-26(15,16)17)8(24-27(18,19)20)4(11)6(5)22-25(12,13)14/h3-8,10-11H,1-2,9H2,(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t3-,4-,5+,6-,7+,8+/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	13.5	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)	BDBM50075183 (1,4,5-Insp3 | 1D-myo-inositol 1,4,5-triphosphate |...) 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)=O Show InChI InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	0.210	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				3D Structure (crystal)

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