null

SMILES: CC(C)C1(O)[C@@H](OC(=O)c2ccc[nH]2)C2(O)[C@@]3(C)CC4(O)OC5([C@H](O)C(=C)CCC35O)C2(O)C14C

InChI Key: InChIKey=BPFNBBLVUYSFRK-MKKQGFNNSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50044991   

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
Ryanodine receptor 1 (Oryctolagus cuniculus)	BDBM50044991 (2,6,9,11,13,14-hexahydroxy-11-isopropyl-7,10-dimet...) Show SMILES CC(C)C1(O)[C@@H](OC(=O)c2ccc[nH]2)C2(O)[C@@]3(C)CC4(O)OC5([C@H](O)C(=C)CCC35O)C2(O)C14C |TLB:33:31:29:19.21.18,5:14:29:19.21.18,20:19:31.14:29,28:29:31.14:19.21.18,THB:15:14:29:19.21.18,33:19:31.14:29,32:31:29:19.21.18,30:29:31.14:19.21.18| Show InChI InChI=1S/C25H33NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12,15,17,26-27,29-33H,3,8-9,11H2,1-2,4-5H3/t15-,17-,18+,19?,20?,21?,22?,23?,24?,25?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Affinity for sarcoplasmic reticular calcium release channel (SR CRC) of rabbit skeletal membrane vesicles				J Med Chem 36: 1319-23 (1993) BindingDB Entry DOI: 10.7270/Q2PN968V
					More data for this Ligand-Target Pair
Ryanodine receptor 1 (Oryctolagus cuniculus)	BDBM50044991 (2,6,9,11,13,14-hexahydroxy-11-isopropyl-7,10-dimet...) Show SMILES CC(C)C1(O)[C@@H](OC(=O)c2ccc[nH]2)C2(O)[C@@]3(C)CC4(O)OC5([C@H](O)C(=C)CCC35O)C2(O)C14C |TLB:33:31:29:19.21.18,5:14:29:19.21.18,20:19:31.14:29,28:29:31.14:19.21.18,THB:15:14:29:19.21.18,33:19:31.14:29,32:31:29:19.21.18,30:29:31.14:19.21.18| Show InChI InChI=1S/C25H33NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12,15,17,26-27,29-33H,3,8-9,11H2,1-2,4-5H3/t15-,17-,18+,19?,20?,21?,22?,23?,24?,25?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Affinity for sarcoplasmic reticular calcium release channel (SR CRC) of rabbit skeletal membrane vesicles				J Med Chem 36: 1319-23 (1993) BindingDB Entry DOI: 10.7270/Q2PN968V
					More data for this Ligand-Target Pair
Ryanodine receptor 1 (Oryctolagus cuniculus)	BDBM50044991 (2,6,9,11,13,14-hexahydroxy-11-isopropyl-7,10-dimet...) Show SMILES CC(C)C1(O)[C@@H](OC(=O)c2ccc[nH]2)C2(O)[C@@]3(C)CC4(O)OC5([C@H](O)C(=C)CCC35O)C2(O)C14C |TLB:33:31:29:19.21.18,5:14:29:19.21.18,20:19:31.14:29,28:29:31.14:19.21.18,THB:15:14:29:19.21.18,33:19:31.14:29,32:31:29:19.21.18,30:29:31.14:19.21.18| Show InChI InChI=1S/C25H33NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12,15,17,26-27,29-33H,3,8-9,11H2,1-2,4-5H3/t15-,17-,18+,19?,20?,21?,22?,23?,24?,25?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Affinity for sarcoplasmic reticular calcium release channel (SR CRC) of rabbit skeletal membrane vesicles				J Med Chem 36: 1319-23 (1993) BindingDB Entry DOI: 10.7270/Q2PN968V
					More data for this Ligand-Target Pair