BDBM50044994 2,6,9,11,13,14-hexahydroxy-11-isopropyl-3,7,10-trimethyl-(2R,3S,7S,12R)-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadec-12-yl 1H-2-pyrrolecarboxylate(Ryanodine)::RYANODINE::Ryanodine

SMILES: CC(C)[C@@]1(O)[C@@H](OC(=O)c2cc[nH]c2)[C@@]2(O)[C@]3(C)C[C@@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@]14C

InChI Key: InChIKey=URVDQZDQPQVIGE-ZORYXUITSA-N

Data: 1 KI  5 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 6 hits for monomerid = 50044994   

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 2 (Canis familiaris)	BDBM50044994 (2,6,9,11,13,14-hexahydroxy-11-isopropyl-3,7,10-tri...) Show SMILES CC(C)[C@@]1(O)[C@@H](OC(=O)c2cc[nH]c2)[C@@]2(O)[C@]3(C)C[C@@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@]14C |r,TLB:28:29:31.33:21,34:33:21:29.16.18,THB:14:16:31.33:21,14:31:21:29.16.18,3:33:21:29.16.18,33:19:29:31.14,32:31:21:29.16.18| Show InChI InChI=1S/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-9-26-10-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)6-8-20(18,24)29/h7,9-10,12-13,15,17,26-27,29-33H,6,8,11H2,1-5H3/t13-,15+,17+,18+,19-,20-,21+,22+,23+,24+,25+/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Binding affinity towards ryanodine receptor in canine ventrical preparation				J Med Chem 39: 2339-46 (1996) Article DOI: 10.1021/jm950712d BindingDB Entry DOI: 10.7270/Q2T15490
					More data for this Ligand-Target Pair
Ryanodine receptor 1 (Oryctolagus cuniculus)	BDBM50044994 (2,6,9,11,13,14-hexahydroxy-11-isopropyl-3,7,10-tri...) Show SMILES CC(C)[C@@]1(O)[C@@H](OC(=O)c2cc[nH]c2)[C@@]2(O)[C@]3(C)C[C@@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@]14C |r,TLB:28:29:31.33:21,34:33:21:29.16.18,THB:14:16:31.33:21,14:31:21:29.16.18,3:33:21:29.16.18,33:19:29:31.14,32:31:21:29.16.18| Show InChI InChI=1S/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-9-26-10-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)6-8-20(18,24)29/h7,9-10,12-13,15,17,26-27,29-33H,6,8,11H2,1-5H3/t13-,15+,17+,18+,19-,20-,21+,22+,23+,24+,25+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.20	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 3 (Mus musculus)	BDBM50044994 (2,6,9,11,13,14-hexahydroxy-11-isopropyl-3,7,10-tri...) Show SMILES CC(C)[C@@]1(O)[C@@H](OC(=O)c2cc[nH]c2)[C@@]2(O)[C@]3(C)C[C@@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@]14C |r,TLB:28:29:31.33:21,34:33:21:29.16.18,THB:14:16:31.33:21,14:31:21:29.16.18,3:33:21:29.16.18,33:19:29:31.14,32:31:21:29.16.18| Show InChI InChI=1S/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-9-26-10-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)6-8-20(18,24)29/h7,9-10,12-13,15,17,26-27,29-33H,6,8,11H2,1-5H3/t13-,15+,17+,18+,19-,20-,21+,22+,23+,24+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Binding affinity to ryanodine receptor in Mus musculus albino Swiss-Webster (mouse) brain				J Med Chem 36: 1128-35 (1993) Article DOI: 10.1021/jm00061a003 BindingDB Entry DOI: 10.7270/Q2JS9TBB
					More data for this Ligand-Target Pair
Ryanodine receptor 1 (Oryctolagus cuniculus)	BDBM50044994 (2,6,9,11,13,14-hexahydroxy-11-isopropyl-3,7,10-tri...) Show SMILES CC(C)[C@@]1(O)[C@@H](OC(=O)c2cc[nH]c2)[C@@]2(O)[C@]3(C)C[C@@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@]14C |r,TLB:28:29:31.33:21,34:33:21:29.16.18,THB:14:16:31.33:21,14:31:21:29.16.18,3:33:21:29.16.18,33:19:29:31.14,32:31:21:29.16.18| Show InChI InChI=1S/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-9-26-10-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)6-8-20(18,24)29/h7,9-10,12-13,15,17,26-27,29-33H,6,8,11H2,1-5H3/t13-,15+,17+,18+,19-,20-,21+,22+,23+,24+,25+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]ryanodine from Ca2+-ryanodine receptor in Oryctolagus cuniculus (rabbit) skeletal muscle sarcoplasmic reticulum after 2 hr by com...				J Med Chem 36: 1128-35 (1993) Article DOI: 10.1021/jm00061a003 BindingDB Entry DOI: 10.7270/Q2JS9TBB
					More data for this Ligand-Target Pair
Ryanodine receptor 1 (Oryctolagus cuniculus)	BDBM50044994 (2,6,9,11,13,14-hexahydroxy-11-isopropyl-3,7,10-tri...) Show SMILES CC(C)[C@@]1(O)[C@@H](OC(=O)c2cc[nH]c2)[C@@]2(O)[C@]3(C)C[C@@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@]14C |r,TLB:28:29:31.33:21,34:33:21:29.16.18,THB:14:16:31.33:21,14:31:21:29.16.18,3:33:21:29.16.18,33:19:29:31.14,32:31:21:29.16.18| Show InChI InChI=1S/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-9-26-10-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)6-8-20(18,24)29/h7,9-10,12-13,15,17,26-27,29-33H,6,8,11H2,1-5H3/t13-,15+,17+,18+,19-,20-,21+,22+,23+,24+,25+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]ryanodine from Ca2+-ryanodine receptor in Oryctolagus cuniculus (rabbit) skeletal muscle sarcoplasmic reticulum after 1 hr by com...				J Med Chem 36: 1128-35 (1993) Article DOI: 10.1021/jm00061a003 BindingDB Entry DOI: 10.7270/Q2JS9TBB
					More data for this Ligand-Target Pair
Ryanodine receptor 1 (Oryctolagus cuniculus)	BDBM50044994 (2,6,9,11,13,14-hexahydroxy-11-isopropyl-3,7,10-tri...) Show SMILES CC(C)[C@@]1(O)[C@@H](OC(=O)c2cc[nH]c2)[C@@]2(O)[C@]3(C)C[C@@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@]14C |r,TLB:28:29:31.33:21,34:33:21:29.16.18,THB:14:16:31.33:21,14:31:21:29.16.18,3:33:21:29.16.18,33:19:29:31.14,32:31:21:29.16.18| Show InChI InChI=1S/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-9-26-10-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)6-8-20(18,24)29/h7,9-10,12-13,15,17,26-27,29-33H,6,8,11H2,1-5H3/t13-,15+,17+,18+,19-,20-,21+,22+,23+,24+,25+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]ryanodine from Ca2+-ryanodine receptor in Oryctolagus cuniculus (rabbit) skeletal muscle sarcoplasmic reticulum after 80 min by c...				J Med Chem 30: 710-6 (1987) BindingDB Entry DOI: 10.7270/Q26M37D3
					More data for this Ligand-Target Pair