Found 66 hits Enz. Inhib. hit(s) with all data for entry = 50009312 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 2
(Homo sapiens) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | 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 SERCA2a (unknown origin) |
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 2
(Homo sapiens) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
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 SERCA2a (unknown origin) |
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
| 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
(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) | 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
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 2
(Homo sapiens) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 27 | 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 SERCA2a (unknown origin) |
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) | 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
(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 3
(Homo sapiens) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 8.60E+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 human SERCA3a expressed in COS7 cells microsomal membranes preincubated for 10 mins followed by addition of ATP and measured after 40 m... |
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 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 2
(Homo sapiens) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 5.30E+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 human SERCA2b expressed in COS7 cells microsomal membranes preincubated for 10 mins followed by addition of ATP and measured after 40 m... |
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) | 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 2
(Homo sapiens) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 human SERCA2b expressed in COS7 cells microsomal membranes preincubated for 10 mins followed by addition of ATP and measured after 40 m... |
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 3
(Homo sapiens) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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 human SERCA3a expressed in COS7 cells microsomal membranes preincubated for 10 mins followed by addition of ATP and measured after 40 m... |
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 3
(Homo sapiens) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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 human SERCA3a expressed in COS7 cells microsomal membranes preincubated for 10 mins followed by addition of ATP and measured after 40 m... |
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 2
(Homo sapiens) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 human SERCA2b expressed in COS7 cells microsomal membranes preincubated for 10 mins followed by addition of ATP and measured after 40 m... |
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) | BDBM50410532
(4-NONYLPHENOL)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 3
(Mus musculus) | BDBM50410532
(4-NONYLPHENOL)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
KEGG
UniProtKB/SwissProt
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 SERCA3 in mouse testicular 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 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 2
(Mus musculus) | BDBM50410532
(4-NONYLPHENOL)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
Reactome pathway
KEGG
UniProtKB/SwissProt
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 SERCA2b in mouse testicular 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) | 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) | 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) | BDBM29608
(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Show InChI InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| 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 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) | BDBM176764
(2,5-Di-tert-butylhydroquinone | CAS# 88-58-4 | US9...)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) |
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2
(Rattus norvegicus) | BDBM29608
(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Show InChI InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| 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 rat cerebellar microsomes SERCA2b 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 2
(Homo sapiens) | BDBM176764
(2,5-Di-tert-butylhydroquinone | CAS# 88-58-4 | US9...)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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
| 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 human SERCA2b expressed in COS7 cells microsomal membranes preincubated for 10 mins followed by addition of ATP and measured after 40 m... |
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 3
(Homo sapiens) | BDBM176764
(2,5-Di-tert-butylhydroquinone | CAS# 88-58-4 | US9...)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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
| 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 human SERCA3a expressed in COS7 cells microsomal membranes preincubated for 10 mins followed by addition of ATP and measured after 40 m... |
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) | 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
| n/a | n/a | 3.00E+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 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 3
(Homo sapiens) | BDBM50854
(MLS000028812 | PAXILLINE | SMR000058863 | cid_1050...)Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@]1(C)[C@@]1(C)CC[C@]3([H])O[C@@]([H])(C(=O)C=C3[C@]1(O)CC2)C(C)(C)O |c:28| Show InChI InChI=1S/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3/t15-,21-,23-,25+,26+,27+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.00E+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 SERCA3 in human platelet microsomes 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) | BDBM50854
(MLS000028812 | PAXILLINE | SMR000058863 | cid_1050...)Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@]1(C)[C@@]1(C)CC[C@]3([H])O[C@@]([H])(C(=O)C=C3[C@]1(O)CC2)C(C)(C)O |c:28| Show InChI InChI=1S/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3/t15-,21-,23-,25+,26+,27+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.00E+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 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 2
(Homo sapiens) | BDBM50854
(MLS000028812 | PAXILLINE | SMR000058863 | cid_1050...)Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@]1(C)[C@@]1(C)CC[C@]3([H])O[C@@]([H])(C(=O)C=C3[C@]1(O)CC2)C(C)(C)O |c:28| Show InChI InChI=1S/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3/t15-,21-,23-,25+,26+,27+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.00E+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 SERCA2b in human platelet microsomes 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 | |
Potassium-transporting ATPase alpha chain 1/subunit beta
(Sus scrofa (Pig)) | BDBM31774
(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.20E+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 pig gastric mucosa Potassium-transporting ATPase 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) | BDBM50187657
(3,6-dihydroxy-2-phenyl-4H-chromen-4-one | 3,6-dihy...)Show InChI InChI=1S/C15H10O4/c16-10-6-7-12-11(8-10)13(17)14(18)15(19-12)9-4-2-1-3-5-9/h1-8,16,18H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.00E+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 skeletal muscle microsomes SERCA1a preincubated for 10 mins followed by addition of ATP and measured after 40 mins |
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) | BDBM50139422
(CHEMBL1495071)Show InChI InChI=1S/C15H11Cl2NOS/c16-9-5-6-13-11(7-9)15(20-8-14(19)18-13)10-3-1-2-4-12(10)17/h1-7,15H,8H2,(H,18,19) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.60E+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 |
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 3
(Homo sapiens) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.00E+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 SERCA3 in human platelet microsomes 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 2
(Homo sapiens) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.00E+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 SERCA2b in human platelet microsomes 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) | BDBM50527072
(CHEMBL524065)Show SMILES Clc1cccc(c1)C(Nc1ccnc2cc(Cl)ccc12)c1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C27H25Cl2N3/c28-22-5-3-4-21(16-22)27(20-8-6-19(7-9-20)18-32-14-1-2-15-32)31-25-12-13-30-26-17-23(29)10-11-24(25)26/h3-13,16-17,27H,1-2,14-15,18H2,(H,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.00E+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 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) | BDBM7460
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H | 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
| n/a | n/a | 9.00E+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 skeletal muscle microsomes SERCA1a preincubated for 10 mins followed by addition of ATP and measured after 40 mins |
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) | BDBM50049391
(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)Show InChI InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.00E+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 skeletal muscle microsomes SERCA1a preincubated for 10 mins followed by addition of ATP and measured after 40 mins |
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) | BDBM50070942
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20E+4 | 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) | BDBM50297393
(CHEMBL561602 | Ethyl 2-Amino-6-(3',5'-dimethoxyphe...)Show SMILES CCOC(=O)CC1C(C(=O)OCC)C(=N)Oc2ccc(cc12)-c1cc(OC)cc(OC)c1 Show InChI InChI=1S/C24H27NO7/c1-5-30-21(26)13-19-18-11-14(15-9-16(28-3)12-17(10-15)29-4)7-8-20(18)32-23(25)22(19)24(27)31-6-2/h7-12,19,22,25H,5-6,13H2,1-4H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.35E+4 | 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) | BDBM20625
(4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...)Show InChI InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+ | 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 | 1.40E+4 | 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 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) | BDBM78433
(2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]pro...)Show SMILES OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+4 | 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) | 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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+4 | 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 preincubated for 10 mins followed by addition of ATP and measured after 10 mins by 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 | |
Search and Browse
