Compile Data Set for Download or QSAR

Found 150 hits Enz. Inhib. hit(s) with Target = 'Sarcoplasmic/endoplasmic reticulum calcium ATPase 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
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Homo sapiens (Human))	BDBM50035612 (CHEMBL96926 | OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4...) Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC |r,t:20| Show InChI InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SERCA1a (unknown origin) ATPase activity				Citation and Details Article DOI: 10.1016/j.bmcl.2017.12.050 BindingDB Entry DOI: 10.7270/Q2KD21HX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50527063 (CHEMBL4534285) Show SMILES [H][C@@]12OC(=O)[C@@](C)(O)[C@@]1(O)[C@H](C[C@@](C)(OC(C)=O)[C@@]1([H])[C@H](OC(=O)CCCCCCC)[C@@H](OC(=O)C(\C)=C/C)C(C)=C21)OC(=O)CCC |r,t:41| Show InChI InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32+,33+,34+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Chemistry and Technology Prague Curated by ChEMBL					Assay Description Inhibition of rabbit skeletal muscle microsomes SERCA1a				J Med Chem 63: 1937-1963 (2020) Article DOI: 10.1021/acs.jmedchem.9b01509 BindingDB Entry DOI: 10.7270/Q29G5R8T
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Homo sapiens (Human))	BDBM50453612 (CHEMBL4216774) Show SMILES CO[C@H]1C\C=C\[C@@H](O)CC(=O)O[C@H](C\C=C\C=C\C[C@H](C)\C=C1/C)\C=C(\C)C\C=C\C |r,t:4,14,16,21| Show InChI InChI=1S/C27H40O4/c1-6-7-13-22(3)19-25-16-11-9-8-10-14-21(2)18-23(4)26(30-5)17-12-15-24(28)20-27(29)31-25/h6-12,15,18-19,21,24-26,28H,13-14,16-17,20H2,1-5H3/b7-6+,10-8+,11-9+,15-12+,22-19-,23-18+/t21-,24+,25+,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SERCA1a (unknown origin) ATPase activity				Citation and Details Article DOI: 10.1016/j.bmcl.2017.12.050 BindingDB Entry DOI: 10.7270/Q2KD21HX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50453612 (CHEMBL4216774) Show SMILES CO[C@H]1C\C=C\[C@@H](O)CC(=O)O[C@H](C\C=C\C=C\C[C@H](C)\C=C1/C)\C=C(\C)C\C=C\C |r,t:4,14,16,21| Show InChI InChI=1S/C27H40O4/c1-6-7-13-22(3)19-25-16-11-9-8-10-14-21(2)18-23(4)26(30-5)17-12-15-24(28)20-27(29)31-25/h6-12,15,18-19,21,24-26,28H,13-14,16-17,20H2,1-5H3/b7-6+,10-8+,11-9+,15-12+,22-19-,23-18+/t21-,24+,25+,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Chemistry and Technology Prague Curated by ChEMBL					Assay Description Inhibition of rabbit skeletal muscle microsomes SERCA1a				J Med Chem 63: 1937-1963 (2020) Article DOI: 10.1021/acs.jmedchem.9b01509 BindingDB Entry DOI: 10.7270/Q29G5R8T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50615551 (CHEMBL5268892) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50527071 (CHEMBL4514624) Show SMILES [H][C@@]12C[C@H](C)\C=C(C)\[C@H](C\C=C\[C@]([H])(CC(=O)O[C@@H](\C=C(\C)C\C=C\C)[C@]([H])(OO1)C=C2)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]1O)OC |r,c:5,31,t:10| Show InChI InChI=1S/C33H50O11/c1-7-8-10-20(2)17-27-26-14-13-24(43-44-26)16-21(3)15-22(4)25(38-5)12-9-11-23(18-29(35)41-27)40-33-31(37)32(39-6)30(36)28(19-34)42-33/h7-9,11,13-15,17,21,23-28,30-34,36-37H,10,12,16,18-19H2,1-6H3/b8-7+,11-9+,20-17-,22-15+/t21-,23-,24-,25+,26-,27+,28-,30-,31-,32+,33-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Chemistry and Technology Prague Curated by ChEMBL					Assay Description Inhibition of rabbit skeletal muscle microsomes SERCA1a				J Med Chem 63: 1937-1963 (2020) Article DOI: 10.1021/acs.jmedchem.9b01509 BindingDB Entry DOI: 10.7270/Q29G5R8T
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50453611 (CHEMBL4207081) Show SMILES [H][C@@]1(O[C@H]2CC(=O)O[C@H](C\C=C\C=C\C[C@H](C)\C=C(C)\[C@H](C\C=C\2)OC)\C=C(\C)C\C=C\C)O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]1O |r,c:17,t:10,12,22| Show InChI InChI=1S/C34H52O9/c1-7-8-14-24(3)20-26-16-12-10-9-11-15-23(2)19-25(4)28(39-5)18-13-17-27(21-30(36)41-26)42-34-32(38)33(40-6)31(37)29(22-35)43-34/h7-13,17,19-20,23,26-29,31-35,37-38H,14-16,18,21-22H2,1-6H3/b8-7+,11-9+,12-10+,17-13+,24-20-,25-19+/t23-,26+,27+,28-,29+,31+,32+,33-,34+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Homo sapiens (Human))	BDBM50453611 (CHEMBL4207081) Show SMILES [H][C@@]1(O[C@H]2CC(=O)O[C@H](C\C=C\C=C\C[C@H](C)\C=C(C)\[C@H](C\C=C\2)OC)\C=C(\C)C\C=C\C)O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]1O |r,c:17,t:10,12,22| Show InChI InChI=1S/C34H52O9/c1-7-8-14-24(3)20-26-16-12-10-9-11-15-23(2)19-25(4)28(39-5)18-13-17-27(21-30(36)41-26)42-34-32(38)33(40-6)31(37)29(22-35)43-34/h7-13,17,19-20,23,26-29,31-35,37-38H,14-16,18,21-22H2,1-6H3/b8-7+,11-9+,12-10+,17-13+,24-20-,25-19+/t23-,26+,27+,28-,29+,31+,32+,33-,34+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SERCA1a (unknown origin) ATPase activity				Citation and Details Article DOI: 10.1016/j.bmcl.2017.12.050 BindingDB Entry DOI: 10.7270/Q2KD21HX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50453611 (CHEMBL4207081) Show SMILES [H][C@@]1(O[C@H]2CC(=O)O[C@H](C\C=C\C=C\C[C@H](C)\C=C(C)\[C@H](C\C=C\2)OC)\C=C(\C)C\C=C\C)O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]1O |r,c:17,t:10,12,22| Show InChI InChI=1S/C34H52O9/c1-7-8-14-24(3)20-26-16-12-10-9-11-15-23(2)19-25(4)28(39-5)18-13-17-27(21-30(36)41-26)42-34-32(38)33(40-6)31(37)29(22-35)43-34/h7-13,17,19-20,23,26-29,31-35,37-38H,14-16,18,21-22H2,1-6H3/b8-7+,11-9+,12-10+,17-13+,24-20-,25-19+/t23-,26+,27+,28-,29+,31+,32+,33-,34+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Chemistry and Technology Prague Curated by ChEMBL					Assay Description Inhibition of rabbit skeletal muscle microsomes SERCA1a				J Med Chem 63: 1937-1963 (2020) Article DOI: 10.1021/acs.jmedchem.9b01509 BindingDB Entry DOI: 10.7270/Q29G5R8T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50527070 (CHEMBL4467779) Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C70H130N18O16/c1-17-40(11)55(75)68(101)86-52(35-54(74)89)67(100)85-51(33-38(7)8)66(99)82-46(25-19-22-28-71)61(94)77-45(16)60(93)84-49(31-36(3)4)64(97)78-42(13)57(90)76-43(14)59(92)83-50(32-37(5)6)65(98)79-44(15)58(91)80-47(26-20-23-29-72)62(95)81-48(27-21-24-30-73)63(96)88-56(41(12)18-2)69(102)87-53(70(103)104)34-39(9)10/h36-53,55-56H,17-35,71-73,75H2,1-16H3,(H2,74,89)(H,76,90)(H,77,94)(H,78,97)(H,79,98)(H,80,91)(H,81,95)(H,82,99)(H,83,92)(H,84,93)(H,85,100)(H,86,101)(H,87,102)(H,88,96)(H,103,104)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,55-,56-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Chemistry and Technology Prague Curated by ChEMBL					Assay Description Inhibition of rabbit skeletal muscle microsomes SERCA1a by enzyme-coupled method				J Med Chem 63: 1937-1963 (2020) Article DOI: 10.1021/acs.jmedchem.9b01509 BindingDB Entry DOI: 10.7270/Q29G5R8T
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Homo sapiens (Human))	BDBM50453613 (Alpha-Cyclopiazonic Acid | CHEBI:22450 | Cyclopiaz...) Show SMILES [H][C@@]12Cc3cccc4[nH]cc(c34)[C@]1([H])[C@]1([H])N(C(=O)C(C(C)=O)=C1O)C2(C)C |r,c:25| Show InChI InChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,24H,7H2,1-3H3/t12-,16+,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SERCA1a (unknown origin) ATPase activity				Citation and Details Article DOI: 10.1016/j.bmcl.2017.12.050 BindingDB Entry DOI: 10.7270/Q2KD21HX
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50140172 (CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...) Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Chemistry and Technology Prague Curated by ChEMBL					Assay Description Inhibition of rabbit SERCA1b expressed in COS7 cells microsomal membranes preincubated for 10 mins followed by addition of ATP and measured after 40 ...				J Med Chem 63: 1937-1963 (2020) Article DOI: 10.1021/acs.jmedchem.9b01509 BindingDB Entry DOI: 10.7270/Q29G5R8T
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM31774 (CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...) Show SMILES Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 Show InChI InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Chemistry and Technology Prague Curated by ChEMBL					Assay Description Inhibition of rabbit skeletal muscle microsomes SERCA1a				J Med Chem 63: 1937-1963 (2020) Article DOI: 10.1021/acs.jmedchem.9b01509 BindingDB Entry DOI: 10.7270/Q29G5R8T
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50035612 (CHEMBL96926 | OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4...) Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC |r,t:20| Show InChI InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay				Bioorg Med Chem 18: 5634-46 (2010) Article DOI: 10.1016/j.bmc.2010.06.032 BindingDB Entry DOI: 10.7270/Q2RB74VD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50326748 ((3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-4-(butyrylo...) Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)c2ccccc2)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC |r,t:23| Show InChI InChI=1S/C36H48O12/c1-7-9-10-11-15-19-26(39)45-30-28-27(21(3)29(30)46-32(40)23-17-13-12-14-18-23)31-36(43,35(6,42)33(41)47-31)24(44-25(38)16-8-2)20-34(28,5)48-22(4)37/h12-14,17-18,24,28-31,42-43H,7-11,15-16,19-20H2,1-6H3/t24-,28+,29-,30-,31-,34-,35+,36+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay				Bioorg Med Chem 18: 5634-46 (2010) Article DOI: 10.1016/j.bmc.2010.06.032 BindingDB Entry DOI: 10.7270/Q2RB74VD
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Homo sapiens (Human))	BDBM50165369 (12-(4-Amino-4-carboxy-butyrylamino)-dodecanoic aci...) Show SMILES CCCCCCCC(=O)O[C@H]1[C@H]2C([C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@]2(C)OC(C)=O)OC(=O)CCCCCCCCCCCNC(=O)CCC(N)C(O)=O)=C(C)C1=O |t:55| Show InChI InChI=1S/C42H66N2O14/c1-6-7-8-14-17-21-32(48)56-36-34-33(26(2)35(36)49)37-42(54,41(5,53)39(52)57-37)29(25-40(34,4)58-27(3)45)55-31(47)20-18-15-12-10-9-11-13-16-19-24-44-30(46)23-22-28(43)38(50)51/h28-29,34,36-37,53-54H,6-25,43H2,1-5H3,(H,44,46)(H,50,51)/t28?,29-,34+,36-,37-,40-,41+,42+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Inhibitory activity against sarco- endoplasmic reticulum calcium-ATPase				J Med Chem 48: 3005-14 (2005) Article DOI: 10.1021/jm049319a BindingDB Entry DOI: 10.7270/Q27W6BP4
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50326743 ((3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-4-(butyrylo...) Show SMILES CCCC(=O)O[C@H]1C[C@](C)(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]2OC(=O)[C@@](C)(O)[C@@]12O |r,c:35| Show InChI InChI=1S/C33H40O12/c1-8-13-22(35)41-21-16-31(6,45-19(5)34)24-23(27-33(21,40)32(7,39)30(38)44-27)18(4)25(42-28(36)17(3)9-2)26(24)43-29(37)20-14-11-10-12-15-20/h9-12,14-15,21,24-27,39-40H,8,13,16H2,1-7H3/b17-9-/t21-,24+,25-,26-,27-,31-,32+,33+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay				Bioorg Med Chem 18: 5634-46 (2010) Article DOI: 10.1016/j.bmc.2010.06.032 BindingDB Entry DOI: 10.7270/Q2RB74VD
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Homo sapiens (Human))	BDBM50165368 (CHEMBL191633 | Dodecanedioic acid mono-((2S,3aR,4S...) Show SMILES CCCCCCCC(=O)O[C@H]1[C@H]2C([C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@]2(C)OC(C)=O)OC(=O)CCCCCCCCCCC(O)=O)=C(C)C1=O |t:47| Show InChI InChI=1S/C37H56O13/c1-6-7-8-13-17-21-28(42)48-32-30-29(23(2)31(32)43)33-37(46,36(5,45)34(44)49-33)25(22-35(30,4)50-24(3)38)47-27(41)20-18-15-12-10-9-11-14-16-19-26(39)40/h25,30,32-33,45-46H,6-22H2,1-5H3,(H,39,40)/t25-,30+,32-,33-,35-,36+,37+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.08	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Inhibitory activity against sarco- endoplasmic reticulum calcium-ATPase				J Med Chem 48: 3005-14 (2005) Article DOI: 10.1021/jm049319a BindingDB Entry DOI: 10.7270/Q27W6BP4
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50326737 ((3S,3aR,4S,6S,6aR,7S,8S,9bS)-3,3a-dihydroxy-3,6,9-...) Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(=O)CCC)[C@@H]12)OC(=O)CCC |r,t:20| Show InChI InChI=1S/C36H54O12/c1-9-13-14-15-16-19-25(38)45-30-28-27(22(6)29(30)46-32(40)21(5)12-4)31-36(43,35(8,42)33(41)47-31)23(44-24(37)17-10-2)20-34(28,7)48-26(39)18-11-3/h12,23,28-31,42-43H,9-11,13-20H2,1-8H3/b21-12-/t23-,28+,29-,30-,31-,34-,35+,36+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay				Bioorg Med Chem 18: 5634-46 (2010) Article DOI: 10.1016/j.bmc.2010.06.032 BindingDB Entry DOI: 10.7270/Q2RB74VD
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50326751 ((3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-4-(butyrylo...) Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)c2ccccc2-c2ccccc2)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC |r,t:30| Show InChI InChI=1S/C42H52O12/c1-7-9-10-11-15-23-32(45)51-36-34-33(25(3)35(36)52-38(46)29-22-17-16-21-28(29)27-19-13-12-14-20-27)37-42(49,41(6,48)39(47)53-37)30(50-31(44)18-8-2)24-40(34,5)54-26(4)43/h12-14,16-17,19-22,30,34-37,48-49H,7-11,15,18,23-24H2,1-6H3/t30-,34+,35-,36-,37-,40-,41+,42+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay				Bioorg Med Chem 18: 5634-46 (2010) Article DOI: 10.1016/j.bmc.2010.06.032 BindingDB Entry DOI: 10.7270/Q2RB74VD
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50035612 (CHEMBL96926 | OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4...) Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC |r,t:20| Show InChI InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rabbit skeletal muscle SERCA1 assessed as reduction in calcium uptake preincubated for 10 mins followed by ATP addition and measured af...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01449 BindingDB Entry DOI: 10.7270/Q2M0493S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50326749 ((3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-4-(butyrylo...) Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)c2cccc(C)c2)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC |r,t:24| Show InChI InChI=1S/C37H50O12/c1-8-10-11-12-13-18-27(40)46-31-29-28(22(4)30(31)47-33(41)24-17-14-16-21(3)19-24)32-37(44,36(7,43)34(42)48-32)25(45-26(39)15-9-2)20-35(29,6)49-23(5)38/h14,16-17,19,25,29-32,43-44H,8-13,15,18,20H2,1-7H3/t25-,29+,30-,31-,32-,35-,36+,37+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay				Bioorg Med Chem 18: 5634-46 (2010) Article DOI: 10.1016/j.bmc.2010.06.032 BindingDB Entry DOI: 10.7270/Q2RB74VD
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50326742 ((3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-3,3a,4-trih...) Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@@H](O)C[C@](C)(OC(C)=O)[C@@H]12 |r,t:20| Show InChI InChI=1S/C30H44O11/c1-8-10-11-12-13-14-20(33)38-24-22-21(17(4)23(24)39-26(34)16(3)9-2)25-30(37,29(7,36)27(35)40-25)19(32)15-28(22,6)41-18(5)31/h9,19,22-25,32,36-37H,8,10-15H2,1-7H3/b16-9-/t19-,22+,23-,24-,25-,28-,29+,30+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay				Bioorg Med Chem 18: 5634-46 (2010) Article DOI: 10.1016/j.bmc.2010.06.032 BindingDB Entry DOI: 10.7270/Q2RB74VD
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50326746 ((3S,3aR,4S,6S,6aR,7S,8S,9bS)-3a-hydroxy-3,6,9-trim...) Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(OC(=O)CCC)[C@@]3(O)[C@H](C[C@](C)(OC(=O)CCC)[C@@H]12)OC(=O)CCC |r,t:20| Show InChI InChI=1S/C40H60O13/c1-10-15-16-17-18-22-28(42)49-34-32-31(25(7)33(34)50-36(45)24(6)14-5)35-40(47,39(9,37(46)51-35)53-30(44)21-13-4)26(48-27(41)19-11-2)23-38(32,8)52-29(43)20-12-3/h14,26,32-35,47H,10-13,15-23H2,1-9H3/b24-14-/t26-,32+,33-,34-,35-,38-,39+,40+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.1	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay				Bioorg Med Chem 18: 5634-46 (2010) Article DOI: 10.1016/j.bmc.2010.06.032 BindingDB Entry DOI: 10.7270/Q2RB74VD
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50326739 ((3S,3aR,4S,6S,6aR,7S,8S,9bS)-4-(butyryloxy)-3,3a-d...) Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(=O)c3ccccc3)[C@@H]12)OC(=O)CCC |r,t:20| Show InChI InChI=1S/C39H52O12/c1-8-11-12-13-17-21-28(41)48-32-30-29(24(5)31(32)49-34(42)23(4)10-3)33-39(46,38(7,45)36(44)50-33)26(47-27(40)18-9-2)22-37(30,6)51-35(43)25-19-15-14-16-20-25/h10,14-16,19-20,26,30-33,45-46H,8-9,11-13,17-18,21-22H2,1-7H3/b23-10-/t26-,30+,31-,32-,33-,37-,38+,39+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.6	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay				Bioorg Med Chem 18: 5634-46 (2010) Article DOI: 10.1016/j.bmc.2010.06.032 BindingDB Entry DOI: 10.7270/Q2RB74VD
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50326738 ((3S,3aR,4S,6S,6aR,7S,8S,9bS)-4-(butyryloxy)-3,3a-d...) Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(=O)CCCCCCC)[C@@H]12)OC(=O)CCC |r,t:20| Show InChI InChI=1S/C40H62O12/c1-9-13-15-17-19-22-29(42)49-34-32-31(26(6)33(34)50-36(44)25(5)12-4)35-40(47,39(8,46)37(45)51-35)27(48-28(41)21-11-3)24-38(32,7)52-30(43)23-20-18-16-14-10-2/h12,27,32-35,46-47H,9-11,13-24H2,1-8H3/b25-12-/t27-,32+,33-,34-,35-,38-,39+,40+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay				Bioorg Med Chem 18: 5634-46 (2010) Article DOI: 10.1016/j.bmc.2010.06.032 BindingDB Entry DOI: 10.7270/Q2RB74VD
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50326750 ((3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-8-(2-(biphe...) Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)Cc2ccc(cc2)-c2ccccc2)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC |r,t:31| Show InChI InChI=1S/C43H54O12/c1-7-9-10-11-15-19-33(46)52-38-36-35(26(3)37(38)53-34(47)24-28-20-22-30(23-21-28)29-17-13-12-14-18-29)39-43(50,42(6,49)40(48)54-39)31(51-32(45)16-8-2)25-41(36,5)55-27(4)44/h12-14,17-18,20-23,31,36-39,49-50H,7-11,15-16,19,24-25H2,1-6H3/t31-,36+,37-,38-,39-,41-,42+,43+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay				Bioorg Med Chem 18: 5634-46 (2010) Article DOI: 10.1016/j.bmc.2010.06.032 BindingDB Entry DOI: 10.7270/Q2RB74VD
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50326745 (CHEMBL1253588 | Octanoic acid(2aS,5aS,7S,7aR,8S,9S...) Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@]4(C)OC(C)(C)O[C@@H](C[C@](C)(OC(=O)CCC)[C@@H]12)[C@@]34O |r,t:20| Show InChI InChI=1S/C35H52O11/c1-10-13-14-15-16-18-23(36)41-28-26-25(21(5)27(28)42-30(38)20(4)12-3)29-35(40)22(19-33(26,8)45-24(37)17-11-2)44-32(6,7)46-34(35,9)31(39)43-29/h12,22,26-29,40H,10-11,13-19H2,1-9H3/b20-12-/t22-,26+,27-,28-,29-,33-,34+,35+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay				Bioorg Med Chem 18: 5634-46 (2010) Article DOI: 10.1016/j.bmc.2010.06.032 BindingDB Entry DOI: 10.7270/Q2RB74VD
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Homo sapiens (Human))	BDBM50165366 (CHEMBL191927 | Pentanedioic acid mono-((2S,3aR,4S,...) Show SMILES CCCCCCCC(=O)O[C@H]1[C@H]2C([C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@]2(C)OC(C)=O)OC(=O)CCCC(O)=O)=C(C)C1=O |t:40| Show InChI InChI=1S/C30H42O13/c1-6-7-8-9-10-13-21(35)41-25-23-22(16(2)24(25)36)26-30(39,29(5,38)27(37)42-26)18(15-28(23,4)43-17(3)31)40-20(34)14-11-12-19(32)33/h18,23,25-26,38-39H,6-15H2,1-5H3,(H,32,33)/t18-,23+,25-,26-,28-,29+,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.8	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Inhibitory activity against sarco- endoplasmic reticulum calcium-ATPase				J Med Chem 48: 3005-14 (2005) Article DOI: 10.1021/jm049319a BindingDB Entry DOI: 10.7270/Q27W6BP4
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50326736 ((3S,3aR,4S,6S,6aR,7S,8S,9bS)-3,3a,6-trihydroxy-3,6...) Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(O)[C@@H]12)OC(=O)CCCCCCC |r,t:20| Show InChI InChI=1S/C36H56O11/c1-8-11-13-15-17-19-25(37)44-24-21-34(6,41)28-27(31-36(24,43)35(7,42)33(40)47-31)23(5)29(46-32(39)22(4)10-3)30(28)45-26(38)20-18-16-14-12-9-2/h10,24,28-31,41-43H,8-9,11-21H2,1-7H3/b22-10-/t24-,28+,29-,30-,31-,34-,35+,36+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay				Bioorg Med Chem 18: 5634-46 (2010) Article DOI: 10.1016/j.bmc.2010.06.032 BindingDB Entry DOI: 10.7270/Q2RB74VD
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50326735 ((3S,3aR,4S,6S,6aR,7S,8S,9bS)-4-(butyryloxy)-3,3a,6...) Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(O)[C@@H]12)OC(=O)CCC |r,t:20| Show InChI InChI=1S/C32H48O11/c1-8-11-12-13-14-16-22(34)41-26-24-23(19(5)25(26)42-28(35)18(4)10-3)27-32(39,31(7,38)29(36)43-27)20(17-30(24,6)37)40-21(33)15-9-2/h10,20,24-27,37-39H,8-9,11-17H2,1-7H3/b18-10-/t20-,24+,25-,26-,27-,30-,31+,32+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay				Bioorg Med Chem 18: 5634-46 (2010) Article DOI: 10.1016/j.bmc.2010.06.032 BindingDB Entry DOI: 10.7270/Q2RB74VD
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50326741 ((3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(2-(biphenyl-4-yl)a...) Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(=O)Cc3ccc(cc3)-c3ccccc3)[C@@H]12)OC(=O)CCC |r,t:20| Show InChI InChI=1S/C46H58O12/c1-8-11-12-13-17-21-35(48)55-40-38-37(29(5)39(40)56-42(50)28(4)10-3)41-46(53,45(7,52)43(51)57-41)33(54-34(47)18-9-2)27-44(38,6)58-36(49)26-30-22-24-32(25-23-30)31-19-15-14-16-20-31/h10,14-16,19-20,22-25,33,38-41,52-53H,8-9,11-13,17-18,21,26-27H2,1-7H3/b28-10-/t33-,38+,39-,40-,41-,44-,45+,46+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay				Bioorg Med Chem 18: 5634-46 (2010) Article DOI: 10.1016/j.bmc.2010.06.032 BindingDB Entry DOI: 10.7270/Q2RB74VD
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50326752 ((3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-4-(butyrylo...) Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)c2ccc(C)cc2)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC |r,t:24| Show InChI InChI=1S/C37H50O12/c1-8-10-11-12-13-15-27(40)46-31-29-28(22(4)30(31)47-33(41)24-18-16-21(3)17-19-24)32-37(44,36(7,43)34(42)48-32)25(45-26(39)14-9-2)20-35(29,6)49-23(5)38/h16-19,25,29-32,43-44H,8-15,20H2,1-7H3/t25-,29+,30-,31-,32-,35-,36+,37+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay				Bioorg Med Chem 18: 5634-46 (2010) Article DOI: 10.1016/j.bmc.2010.06.032 BindingDB Entry DOI: 10.7270/Q2RB74VD
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50326740 ((3S,3aR,4S,6S,6aR,7S,8S,9bS)-4-(butyryloxy)-3,3a-d...) Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(=O)c3ccc(cc3)-c3ccccc3)[C@@H]12)OC(=O)CCC |r,t:20| Show InChI InChI=1S/C45H56O12/c1-8-11-12-13-17-21-34(47)54-38-36-35(28(5)37(38)55-40(48)27(4)10-3)39-45(52,44(7,51)42(50)56-39)32(53-33(46)18-9-2)26-43(36,6)57-41(49)31-24-22-30(23-25-31)29-19-15-14-16-20-29/h10,14-16,19-20,22-25,32,36-39,51-52H,8-9,11-13,17-18,21,26H2,1-7H3/b27-10-/t32-,36+,37-,38-,39-,43-,44+,45+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>70	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay				Bioorg Med Chem 18: 5634-46 (2010) Article DOI: 10.1016/j.bmc.2010.06.032 BindingDB Entry DOI: 10.7270/Q2RB74VD
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50326747 ((3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-4-(butyrylo...) Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](O)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC |r,t:14| Show InChI InChI=1S/C29H44O11/c1-7-9-10-11-12-14-20(32)38-24-22-21(16(3)23(24)33)25-29(36,28(6,35)26(34)39-25)18(37-19(31)13-8-2)15-27(22,5)40-17(4)30/h18,22-25,33,35-36H,7-15H2,1-6H3/t18-,22+,23-,24-,25-,27-,28+,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>70	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay				Bioorg Med Chem 18: 5634-46 (2010) Article DOI: 10.1016/j.bmc.2010.06.032 BindingDB Entry DOI: 10.7270/Q2RB74VD
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50326753 ((3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-4-(butyrylo...) Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)c2ccc(cc2)-c2ccccc2)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC |r,t:30| Show InChI InChI=1S/C42H52O12/c1-7-9-10-11-15-19-32(45)51-36-34-33(25(3)35(36)52-38(46)29-22-20-28(21-23-29)27-17-13-12-14-18-27)37-42(49,41(6,48)39(47)53-37)30(50-31(44)16-8-2)24-40(34,5)54-26(4)43/h12-14,17-18,20-23,30,34-37,48-49H,7-11,15-16,19,24H2,1-6H3/t30-,34+,35-,36-,37-,40-,41+,42+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>70	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay				Bioorg Med Chem 18: 5634-46 (2010) Article DOI: 10.1016/j.bmc.2010.06.032 BindingDB Entry DOI: 10.7270/Q2RB74VD
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50326744 (CHEMBL1253587 | Octanoic acid(2aS,5aS,7S,7aR,8S,9S...) Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@]4(C)OC(C)(C)O[C@@H](C[C@](C)(OC(=O)CCC)[C@@H]12)[C@@]34OC(=O)CCC |r,t:20| Show InChI InChI=1S/C39H58O12/c1-11-15-16-17-18-21-26(40)45-32-30-29(24(6)31(32)46-34(43)23(5)14-4)33-39(50-28(42)20-13-3)25(22-37(30,9)49-27(41)19-12-2)48-36(7,8)51-38(39,10)35(44)47-33/h14,25,30-33H,11-13,15-22H2,1-10H3/b23-14-/t25-,30+,31-,32-,33-,37-,38+,39+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>70	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay				Bioorg Med Chem 18: 5634-46 (2010) Article DOI: 10.1016/j.bmc.2010.06.032 BindingDB Entry DOI: 10.7270/Q2RB74VD
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50527068 (CHEBI:17734 | CHEMBL468766) Show SMILES [H][C@@]12Cc3cccc4[nH]cc(c34)[C@]1([H])[C@]1([H])N(C(=O)\C(=C(\C)O)C1=O)C2(C)C |r| Show InChI InChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,23H,7H2,1-3H3/b14-9-/t12-,16+,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
University of Chemistry and Technology Prague Curated by ChEMBL					Assay Description Inhibition of rabbit SERCA1b expressed in COS7 cells microsomal membranes preincubated for 10 mins followed by addition of ATP and measured after 40 ...				J Med Chem 63: 1937-1963 (2020) Article DOI: 10.1021/acs.jmedchem.9b01509 BindingDB Entry DOI: 10.7270/Q29G5R8T
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50527063 (CHEMBL4534285) Show SMILES [H][C@@]12OC(=O)[C@@](C)(O)[C@@]1(O)[C@H](C[C@@](C)(OC(C)=O)[C@@]1([H])[C@H](OC(=O)CCCCCCC)[C@@H](OC(=O)C(\C)=C/C)C(C)=C21)OC(=O)CCC |r,t:41| Show InChI InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32+,33+,34+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
University of Chemistry and Technology Prague Curated by ChEMBL					Assay Description Inhibition of rabbit SERCA1b expressed in COS7 cells microsomal membranes preincubated for 10 mins followed by addition of ATP and measured after 40 ...				J Med Chem 63: 1937-1963 (2020) Article DOI: 10.1021/acs.jmedchem.9b01509 BindingDB Entry DOI: 10.7270/Q29G5R8T
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50527076 (CHEMBL4436782) Show SMILES CC[C@H](C)[C@H](NC(=O)CCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C129H213N35O28/c1-18-74(11)105(161-103(170)43-24-21-31-57-141-112(177)95(65-81-44-48-83(165)49-45-81)158-115(180)88(40-32-58-142-128(137)138)151-123(188)98-42-34-60-164(98)127(192)90(41-33-59-143-129(139)140)153-121(186)96(68-101(134)168)159-116(181)89(52-53-100(133)167)152-124(189)99(66-82-46-50-84(166)51-47-82)163(17)104(171)67-80-35-22-20-23-36-80)125(190)160-97(69-102(135)169)122(187)157-94(64-73(9)10)120(185)150-85(37-25-28-54-130)113(178)145-79(16)111(176)156-92(62-71(5)6)118(183)146-76(13)108(173)144-77(14)110(175)155-93(63-72(7)8)119(184)147-78(15)109(174)148-86(38-26-29-55-131)114(179)149-87(39-27-30-56-132)117(182)162-106(75(12)19-2)126(191)154-91(107(136)172)61-70(3)4/h20,22-23,35-36,44-51,70-79,85-99,105-106,165-166H,18-19,21,24-34,37-43,52-69,130-132H2,1-17H3,(H2,133,167)(H2,134,168)(H2,135,169)(H2,136,172)(H,141,177)(H,144,173)(H,145,178)(H,146,183)(H,147,184)(H,148,174)(H,149,179)(H,150,185)(H,151,188)(H,152,189)(H,153,186)(H,154,191)(H,155,175)(H,156,176)(H,157,187)(H,158,180)(H,159,181)(H,160,190)(H,161,170)(H,162,182)(H4,137,138,142)(H4,139,140,143)/t74-,75-,76-,77-,78-,79-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99+,105-,106-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
University of Chemistry and Technology Prague Curated by ChEMBL					Assay Description Inhibition of rabbit skeletal muscle microsomes SERCA1a				J Med Chem 63: 1937-1963 (2020) Article DOI: 10.1021/acs.jmedchem.9b01509 BindingDB Entry DOI: 10.7270/Q29G5R8T
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM34117 (hydroquinone derivative, 5a) Show SMILES CCC(C)(C)c1cc(O)c(cc1O)C(C)(C)CC Show InChI InChI=1S/C16H26O2/c1-7-15(3,4)11-9-14(18)12(10-13(11)17)16(5,6)8-2/h9-10,17-18H,7-8H2,1-6H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	7.3	37
Northern Kentucky University					Assay Description Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....				Bioorg Med Chem 17: 6613-9 (2009) Article DOI: 10.1016/j.bmc.2009.07.075 BindingDB Entry DOI: 10.7270/Q2154FCG
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50410532 (4-NONYLPHENOL) Show SMILES CCCCCCCCCc1ccc(O)cc1 Show InChI InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
University of Chemistry and Technology Prague Curated by ChEMBL					Assay Description Inhibition of SERCA1a in rabbit microsomes				J Med Chem 63: 1937-1963 (2020) Article DOI: 10.1021/acs.jmedchem.9b01509 BindingDB Entry DOI: 10.7270/Q29G5R8T
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50410532 (4-NONYLPHENOL) Show SMILES CCCCCCCCCc1ccc(O)cc1 Show InChI InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
University of Chemistry and Technology Prague Curated by ChEMBL					Assay Description Inhibition of rabbit SERCA1a				J Med Chem 63: 1937-1963 (2020) Article DOI: 10.1021/acs.jmedchem.9b01509 BindingDB Entry DOI: 10.7270/Q29G5R8T
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50323389 (CHEMBL1208858 | Calmidazolium) Show SMILES Clc1ccc(cc1)C(c1ccc(Cl)cc1)[n+]1ccn(CC(OCc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)c1 Show InChI InChI=1S/C31H23Cl6N2O/c32-23-6-1-20(2-7-23)31(21-3-8-24(33)9-4-21)39-14-13-38(19-39)17-30(27-12-11-26(35)16-29(27)37)40-18-22-5-10-25(34)15-28(22)36/h1-16,19,30-31H,17-18H2/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of Chemistry and Technology Prague Curated by ChEMBL					Assay Description Inhibition of rabbit skeletal muscle microsomes SERCA1a incubated for 10 mins by enzyme-coupled method				J Med Chem 63: 1937-1963 (2020) Article DOI: 10.1021/acs.jmedchem.9b01509 BindingDB Entry DOI: 10.7270/Q29G5R8T
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50150793 (2,2',6,6'-Tetrabromobisphenol A | 2,2-Bis(3,5-dibr...) Show SMILES CC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1 Show InChI InChI=1S/C15H12Br4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of Chemistry and Technology Prague Curated by ChEMBL					Assay Description Inhibition of rabbit skeletal muscle microsomes SERCA1a by enzyme-coupled method				J Med Chem 63: 1937-1963 (2020) Article DOI: 10.1021/acs.jmedchem.9b01509 BindingDB Entry DOI: 10.7270/Q29G5R8T
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM34118 (hydroquinone derivative, 5b) Show SMILES CCC(C)(CC)c1cc(O)c(cc1O)C(C)(CC)CC Show InChI InChI=1S/C18H30O2/c1-7-17(5,8-2)13-11-16(20)14(12-15(13)19)18(6,9-3)10-4/h11-12,19-20H,7-10H2,1-6H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	7.3	37
Northern Kentucky University					Assay Description Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....				Bioorg Med Chem 17: 6613-9 (2009) Article DOI: 10.1016/j.bmc.2009.07.075 BindingDB Entry DOI: 10.7270/Q2154FCG
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50527067 (CHEMBL4531692) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Cc1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C132H211N35O28/c1-18-75(11)107(128(193)156-93(109(139)174)61-71(3)4)164-118(183)89(41-28-31-57-135)151-115(180)88(40-27-30-56-134)150-111(176)79(15)149-120(185)95(63-73(7)8)157-112(177)78(14)146-110(175)77(13)148-119(184)94(62-72(5)6)158-113(178)80(16)147-114(179)87(39-26-29-55-133)152-121(186)96(64-74(9)10)159-124(189)100(70-105(138)172)163-129(194)108(76(12)19-2)165-125(190)98(66-83-45-49-85(168)50-46-83)160-116(181)90(42-32-58-144-131(140)141)154-126(191)101-44-34-60-167(101)130(195)92(43-33-59-145-132(142)143)155-123(188)99(69-104(137)171)161-117(182)91(53-54-103(136)170)153-122(187)97(65-81-35-22-20-23-36-81)162-127(192)102(67-84-47-51-86(169)52-48-84)166(17)106(173)68-82-37-24-21-25-38-82/h20-25,35-38,45-52,71-80,87-102,107-108,168-169H,18-19,26-34,39-44,53-70,133-135H2,1-17H3,(H2,136,170)(H2,137,171)(H2,138,172)(H2,139,174)(H,146,175)(H,147,179)(H,148,184)(H,149,185)(H,150,176)(H,151,180)(H,152,186)(H,153,187)(H,154,191)(H,155,188)(H,156,193)(H,157,177)(H,158,178)(H,159,189)(H,160,181)(H,161,182)(H,162,192)(H,163,194)(H,164,183)(H,165,190)(H4,140,141,144)(H4,142,143,145)/t75-,76-,77-,78-,79-,80-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102+,107-,108-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
University of Chemistry and Technology Prague Curated by ChEMBL					Assay Description Inhibition of rabbit skeletal muscle microsomes SERCA1a				J Med Chem 63: 1937-1963 (2020) Article DOI: 10.1021/acs.jmedchem.9b01509 BindingDB Entry DOI: 10.7270/Q29G5R8T
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM25524 (17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...) Show SMILES COc1ccc2c(c[n+](C)c3c4cc5OCOc5cc4ccc23)c1OC Show InChI InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Chemistry and Technology Prague Curated by ChEMBL					Assay Description Inhibition of rabbit skeletal muscle microsomes SERCA1a incubated for 10 mins by enzyme-coupled method				J Med Chem 63: 1937-1963 (2020) Article DOI: 10.1021/acs.jmedchem.9b01509 BindingDB Entry DOI: 10.7270/Q29G5R8T
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50527074 (CHEMBL4536029) Show SMILES Clc1cccc(c1)C(Nc1ccnc2cc(Cl)ccc12)c1ccc(CN2CCN(CC2)c2ccnc3cc(Cl)ccc23)cc1 Show InChI InChI=1S/C36H30Cl3N5/c37-27-3-1-2-26(20-27)36(42-32-12-14-40-33-21-28(38)8-10-30(32)33)25-6-4-24(5-7-25)23-43-16-18-44(19-17-43)35-13-15-41-34-22-29(39)9-11-31(34)35/h1-15,20-22,36H,16-19,23H2,(H,40,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Chemistry and Technology Prague Curated by ChEMBL					Assay Description Inhibition of rabbit skeletal muscle microsomes SERCA1a by malachite green based colorimetric method				J Med Chem 63: 1937-1963 (2020) Article DOI: 10.1021/acs.jmedchem.9b01509 BindingDB Entry DOI: 10.7270/Q29G5R8T
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM176764 (2,5-Di-tert-butylhydroquinone | CAS# 88-58-4 | US9...) Show SMILES CC(C)(C)c1cc(O)c(cc1O)C(C)(C)C Show InChI InChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	DrugBank PDB Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Chemistry and Technology Prague Curated by ChEMBL					Assay Description Inhibition of rabbit SERCA1b expressed in COS7 cells microsomal membranes preincubated for 10 mins followed by addition of ATP and measured after 40 ...				J Med Chem 63: 1937-1963 (2020) Article DOI: 10.1021/acs.jmedchem.9b01509 BindingDB Entry DOI: 10.7270/Q29G5R8T
					More data for this Ligand-Target Pair				3D Structure (crystal)

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