Compile Data Set for Download or QSAR

Found 8 hits of affinity data for UniProtKB/TrEMBL: Q64578   

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 (Rattus norvegicus)	BDBM50409816 (ABAMECTIN) Show SMILES CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 |c:17,48,56,t:46| Show InChI InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
Albert Ludwigs University Freiburg Curated by ChEMBL					Assay Description Inhibition of Wistar rat EDL muscle SERCA1a after 1 hr				J Nat Prod 78: 1262-70 (2015) Article DOI: 10.1021/acs.jnatprod.5b00062 BindingDB Entry DOI: 10.7270/Q2833TR2
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Rattus norvegicus)	BDBM50539783 (CHEMBL4637788) Show SMILES Cc1cc2-c3ccc(O)cc3O[C@@]3(Oc4cc(cc(O)c4-c(c1)c23)-c1cc2ccc(O)cc2o1)c1ccc(O)cc1O |r| Show InChI InChI=1S/C34H22O8/c1-16-8-23-22-6-4-21(37)15-30(22)41-34(25-7-5-19(35)13-26(25)38)33(23)24(9-16)32-27(39)10-18(12-31(32)42-34)28-11-17-2-3-20(36)14-29(17)40-28/h2-15,35-39H,1H3/t34-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Experimental Medicine SAS Curated by ChEMBL					Assay Description Inhibition of SERCA1 in rat INS-1E cells assessed as reduction in cell viability incubated for 24 hrs by MTT assay				ACS Med Chem Lett 11: 1006-1013 (2020) Article DOI: 10.1021/acsmedchemlett.0c00047 BindingDB Entry DOI: 10.7270/Q2TB1BFV
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Rattus norvegicus)	BDBM50539782 (CHEMBL4648427) Show SMILES [H][C@@]12CC(C)=C[C@]3([H])c4c(O)cc(cc4O[C@](Oc4cc(O)ccc14)(c1ccc(O)cc1O)[C@]23[H])-c1cc2ccc(O)cc2o1 |r,c:4| Show InChI InChI=1S/C34H26O8/c1-16-8-23-22-6-4-21(37)15-30(22)41-34(25-7-5-19(35)13-26(25)38)33(23)24(9-16)32-27(39)10-18(12-31(32)42-34)28-11-17-2-3-20(36)14-29(17)40-28/h2-7,9-15,23-24,33,35-39H,8H2,1H3/t23-,24-,33-,34-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Experimental Medicine SAS Curated by ChEMBL					Assay Description Inhibition of SERCA1 in rat INS-1E cells assessed as reduction in cell viability incubated for 24 hrs by MTT assay				ACS Med Chem Lett 11: 1006-1013 (2020) Article DOI: 10.1021/acsmedchemlett.0c00047 BindingDB Entry DOI: 10.7270/Q2TB1BFV
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Rattus norvegicus)	BDBM50291290 (CHEMBL4173326) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1cc(-[#6@@H]-2-[#6]-[#6](=O)-c3c(-[#8])cc(-[#8])cc3-[#8]-2)c(-[#8])cc1-[#8] |r| Show InChI InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-16-9-18(20(28)12-19(16)27)23-13-22(30)25-21(29)10-17(26)11-24(25)31-23/h5,7,9-12,23,26-29H,4,6,8,13H2,1-3H3/b15-7+/t23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Experimental Medicine SAS Curated by ChEMBL					Assay Description Inhibition of SERCA1 in rat INS-1E cells assessed as reduction in cell viability incubated for 24 hrs by MTT assay				ACS Med Chem Lett 11: 1006-1013 (2020) Article DOI: 10.1021/acsmedchemlett.0c00047 BindingDB Entry DOI: 10.7270/Q2TB1BFV
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Rattus norvegicus)	BDBM50242014 (CHEMBL464006 | Morusin | Morusin, 3 | TCMDC-124149...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(oc2c3-[#6]=[#6]C([#6])([#6])[#8]-c3cc(-[#8])c2c1=O)-c1ccc(-[#8])cc1-[#8] |c:10| Show InChI InChI=1S/C25H24O6/c1-13(2)5-7-17-22(29)21-19(28)12-20-16(9-10-25(3,4)31-20)24(21)30-23(17)15-8-6-14(26)11-18(15)27/h5-6,8-12,26-28H,7H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Experimental Medicine SAS Curated by ChEMBL					Assay Description Inhibition of SERCA1 in rat INS-1E cells assessed as reduction in cell viability incubated for 24 hrs by MTT assay				ACS Med Chem Lett 11: 1006-1013 (2020) Article DOI: 10.1021/acsmedchemlett.0c00047 BindingDB Entry DOI: 10.7270/Q2TB1BFV
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Rattus norvegicus)	BDBM50539784 (CHEMBL1096940) Show SMILES [#6]-[#8]-c1cc(-[#8])c(cc1-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])cc(-[#8])cc2-[#8]-1 |r| Show InChI InChI=1S/C26H30O6/c1-15(2)6-5-7-16(3)8-9-17-10-19(20(28)13-23(17)31-4)24-14-22(30)26-21(29)11-18(27)12-25(26)32-24/h6,8,10-13,24,27-29H,5,7,9,14H2,1-4H3/b16-8+/t24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Experimental Medicine SAS Curated by ChEMBL					Assay Description Inhibition of SERCA1 in rat INS-1E cells assessed as reduction in cell viability incubated for 24 hrs by MTT assay				ACS Med Chem Lett 11: 1006-1013 (2020) Article DOI: 10.1021/acsmedchemlett.0c00047 BindingDB Entry DOI: 10.7270/Q2TB1BFV
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Rattus norvegicus)	BDBM50179011 (CHEMBL380456 | Moracin P) Show SMILES CC1(C)Oc2cc3oc(cc3cc2CC1O)-c1cc(O)cc(O)c1 Show InChI InChI=1S/C19H18O5/c1-19(2)18(22)7-11-3-10-6-15(23-16(10)9-17(11)24-19)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+5	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Experimental Medicine SAS Curated by ChEMBL					Assay Description Inhibition of SERCA1 in rat INS-1E cells assessed as reduction in cell viability incubated for 24 hrs by MTT assay				ACS Med Chem Lett 11: 1006-1013 (2020) Article DOI: 10.1021/acsmedchemlett.0c00047 BindingDB Entry DOI: 10.7270/Q2TB1BFV
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Rattus norvegicus)	BDBM50179013 (CHEMBL205924 | moracin O) Show SMILES CC(C)(O)C1Cc2cc3cc(oc3cc2O1)-c1cc(O)cc(O)c1 Show InChI InChI=1S/C19H18O5/c1-19(2,22)18-7-11-3-10-6-15(23-16(10)9-17(11)24-18)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+5	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Experimental Medicine SAS Curated by ChEMBL					Assay Description Inhibition of SERCA1 in rat INS-1E cells assessed as reduction in cell viability incubated for 24 hrs by MTT assay				ACS Med Chem Lett 11: 1006-1013 (2020) Article DOI: 10.1021/acsmedchemlett.0c00047 BindingDB Entry DOI: 10.7270/Q2TB1BFV
					More data for this Ligand-Target Pair