Found 43 hits with Last Name = 'olsen' and Initial = 'ce' 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
(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
(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
(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) | 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
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GoogleScholar
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| 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
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GoogleScholar
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| 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
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| 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
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KEGG
UniProtKB/SwissProt
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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
(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) | 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) | 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
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| 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
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| 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) | 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
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| 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) | 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
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| 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
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| 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
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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 | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50059889
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1 | PDB
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged c-Src preincubated for 30 mins measured after 60 mins |
Bioorg Med Chem 20: 6821-30 (2012)
Article DOI: 10.1016/j.bmc.2012.09.057
BindingDB Entry DOI: 10.7270/Q23B619Q |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50142887
(1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[...)Show InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19) | PDB
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| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged c-Src preincubated for 30 mins measured after 60 mins |
Bioorg Med Chem 20: 6821-30 (2012)
Article DOI: 10.1016/j.bmc.2012.09.057
BindingDB Entry DOI: 10.7270/Q23B619Q |
More data for this
Ligand-Target Pair | |
Quinolone resistance protein NorA
(Staphylococcus aureus) | BDBM50393706
(CHEMBL2158999)Show SMILES CN(C)CCOc1ccc(cc1)C(=O)\C=C\c1ccc(cc1)N(C)C Show InChI InChI=1S/C21H26N2O2/c1-22(2)15-16-25-20-12-8-18(9-13-20)21(24)14-7-17-5-10-19(11-6-17)23(3)4/h5-14H,15-16H2,1-4H3/b14-7+ | PDB
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| n/a | n/a | 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Inhibition of norA-mediated ethidium bromide efflux in methicillin-resistant Staphylococcus aureus SA-1199B by spectrofluorometric analysis |
Bioorg Med Chem 20: 4514-21 (2012)
Article DOI: 10.1016/j.bmc.2012.05.025
BindingDB Entry DOI: 10.7270/Q2K075D0 |
More data for this
Ligand-Target Pair | |
Quinolone resistance protein NorA
(Staphylococcus aureus) | BDBM50017712
((-)-reserpine | (3beta,16beta,17alpha,18beta,20alp...)Show SMILES CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c1cc(OC)c(OC)c(OC)c1 |r| Show InChI InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1 | PDB
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| n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Inhibition of norA-mediated ethidium bromide efflux in methicillin-resistant Staphylococcus aureus SA-1199B by spectrofluorometric analysis |
Bioorg Med Chem 20: 4514-21 (2012)
Article DOI: 10.1016/j.bmc.2012.05.025
BindingDB Entry DOI: 10.7270/Q2K075D0 |
More data for this
Ligand-Target Pair | |
Quinolone resistance protein NorA
(Staphylococcus aureus) | BDBM50393707
(CHEMBL2158998)Show SMILES CN(C)CCOc1ccc(cc1)C(=O)\C=C\c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C25H25NO3/c1-26(2)18-19-28-22-15-11-21(12-16-22)25(27)17-10-20-8-13-24(14-9-20)29-23-6-4-3-5-7-23/h3-17H,18-19H2,1-2H3/b17-10+ | PDB
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| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Inhibition of norA-mediated ethidium bromide efflux in methicillin-resistant Staphylococcus aureus SA-1199B by spectrofluorometric analysis |
Bioorg Med Chem 20: 4514-21 (2012)
Article DOI: 10.1016/j.bmc.2012.05.025
BindingDB Entry DOI: 10.7270/Q2K075D0 |
More data for this
Ligand-Target Pair | |
Quinolone resistance protein NorA
(Staphylococcus aureus) | BDBM50393711
(CHEMBL358518)Show InChI InChI=1S/C17H16O4/c1-11-9-14(19)10-17(21-2)15(11)7-8-16(20)12-3-5-13(18)6-4-12/h3-10,18-19H,1-2H3/b8-7+ | PDB
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| n/a | n/a | 1.34E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Inhibition of norA-mediated ethidium bromide efflux in methicillin-resistant Staphylococcus aureus SA-1199B by spectrofluorometric analysis |
Bioorg Med Chem 20: 4514-21 (2012)
Article DOI: 10.1016/j.bmc.2012.05.025
BindingDB Entry DOI: 10.7270/Q2K075D0 |
More data for this
Ligand-Target Pair | |
Quinolone resistance protein NorA
(Staphylococcus aureus) | BDBM50393710
(CHEMBL422481)Show InChI InChI=1S/C17H16O4/c1-20-15-8-10-17(21-2)13(11-15)5-9-16(19)12-3-6-14(18)7-4-12/h3-11,18H,1-2H3/b9-5+ | PDB
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| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Inhibition of norA-mediated ethidium bromide efflux in methicillin-resistant Staphylococcus aureus SA-1199B by spectrofluorometric analysis |
Bioorg Med Chem 20: 4514-21 (2012)
Article DOI: 10.1016/j.bmc.2012.05.025
BindingDB Entry DOI: 10.7270/Q2K075D0 |
More data for this
Ligand-Target Pair | |
Quinolone resistance protein NorA
(Staphylococcus aureus) | BDBM50393709
(CHEMBL2158996)Show InChI InChI=1S/C20H18O5/c1-2-13-24-19-6-4-3-5-17(19)18(21)12-9-15-7-10-16(11-8-15)25-14-20(22)23/h2-12H,1,13-14H2,(H,22,23)/b12-9+ | PDB
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| n/a | n/a | 1.69E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Inhibition of norA-mediated ethidium bromide efflux in methicillin-resistant Staphylococcus aureus SA-1199B by spectrofluorometric analysis |
Bioorg Med Chem 20: 4514-21 (2012)
Article DOI: 10.1016/j.bmc.2012.05.025
BindingDB Entry DOI: 10.7270/Q2K075D0 |
More data for this
Ligand-Target Pair | |
Quinolone resistance protein NorA
(Staphylococcus aureus) | BDBM50393708
(CHEMBL2158997)Show InChI InChI=1S/C19H20FNO2/c1-21(2)13-14-23-17-10-7-16(8-11-17)19(22)12-9-15-5-3-4-6-18(15)20/h3-12H,13-14H2,1-2H3/b12-9+ | PDB
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| n/a | n/a | 1.81E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Inhibition of norA-mediated ethidium bromide efflux in methicillin-resistant Staphylococcus aureus SA-1199B by spectrofluorometric analysis |
Bioorg Med Chem 20: 4514-21 (2012)
Article DOI: 10.1016/j.bmc.2012.05.025
BindingDB Entry DOI: 10.7270/Q2K075D0 |
More data for this
Ligand-Target Pair | |
Quinolone resistance protein NorA
(Staphylococcus aureus) | BDBM50393714
(CHEMBL142493)Show InChI InChI=1S/C17H16O4/c1-20-16-5-3-4-13(17(16)21-2)8-11-15(19)12-6-9-14(18)10-7-12/h3-11,18H,1-2H3/b11-8+ | PDB
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| n/a | n/a | 2.43E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Inhibition of norA-mediated ethidium bromide efflux in methicillin-resistant Staphylococcus aureus SA-1199B by spectrofluorometric analysis |
Bioorg Med Chem 20: 4514-21 (2012)
Article DOI: 10.1016/j.bmc.2012.05.025
BindingDB Entry DOI: 10.7270/Q2K075D0 |
More data for this
Ligand-Target Pair | |
Quinolone resistance protein NorA
(Staphylococcus aureus) | BDBM50393713
(CHEMBL2158995)Show InChI InChI=1S/C17H16O4/c1-20-16-10-4-12(11-17(16)21-2)3-9-15(19)13-5-7-14(18)8-6-13/h3-11,18H,1-2H3/b9-3+ | PDB
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| n/a | n/a | 2.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Inhibition of norA-mediated ethidium bromide efflux in methicillin-resistant Staphylococcus aureus SA-1199B by spectrofluorometric analysis |
Bioorg Med Chem 20: 4514-21 (2012)
Article DOI: 10.1016/j.bmc.2012.05.025
BindingDB Entry DOI: 10.7270/Q2K075D0 |
More data for this
Ligand-Target Pair | |
Quinolone resistance protein NorA
(Staphylococcus aureus) | BDBM50393715
(CHEMBL2158994)Show InChI InChI=1S/C19H21NO2/c1-20(2)14-15-22-18-11-9-17(10-12-18)19(21)13-8-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3/b13-8+ | PDB
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| Article
PubMed
| n/a | n/a | 2.84E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Inhibition of norA-mediated ethidium bromide efflux in methicillin-resistant Staphylococcus aureus SA-1199B by spectrofluorometric analysis |
Bioorg Med Chem 20: 4514-21 (2012)
Article DOI: 10.1016/j.bmc.2012.05.025
BindingDB Entry DOI: 10.7270/Q2K075D0 |
More data for this
Ligand-Target Pair | |
Quinolone resistance protein NorA
(Staphylococcus aureus) | BDBM50393712
(CHEMBL434066)Show InChI InChI=1S/C17H16O4/c1-20-15-9-5-13(17(11-15)21-2)6-10-16(19)12-3-7-14(18)8-4-12/h3-11,18H,1-2H3/b10-6+ | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.91E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Inhibition of norA-mediated ethidium bromide efflux in methicillin-resistant Staphylococcus aureus SA-1199B by spectrofluorometric analysis |
Bioorg Med Chem 20: 4514-21 (2012)
Article DOI: 10.1016/j.bmc.2012.05.025
BindingDB Entry DOI: 10.7270/Q2K075D0 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50401865
(CHEMBL2205390)Show SMILES COc1cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C12H16O6/c1-16-7-3-2-4-8(5-7)17-12-11(15)10(14)9(6-13)18-12/h2-5,9-15H,6H2,1H3/t9-,10-,11-,12-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged c-Src preincubated for 30 mins measured after 60 mins |
Bioorg Med Chem 20: 6821-30 (2012)
Article DOI: 10.1016/j.bmc.2012.09.057
BindingDB Entry DOI: 10.7270/Q23B619Q |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50401868
(CHEMBL2205384)Show SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2)-c2ccccc2)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C17H18O5/c18-10-14-15(19)16(20)17(22-14)21-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14-20H,10H2/t14-,15-,16-,17-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.25E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged c-Src preincubated for 30 mins measured after 60 mins |
Bioorg Med Chem 20: 6821-30 (2012)
Article DOI: 10.1016/j.bmc.2012.09.057
BindingDB Entry DOI: 10.7270/Q23B619Q |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50401866
(CHEMBL2205388)Show SMILES Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C12H16O5/c1-7-2-4-8(5-3-7)16-12-11(15)10(14)9(6-13)17-12/h2-5,9-15H,6H2,1H3/t9-,10-,11-,12-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.43E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged c-Src preincubated for 30 mins measured after 60 mins |
Bioorg Med Chem 20: 6821-30 (2012)
Article DOI: 10.1016/j.bmc.2012.09.057
BindingDB Entry DOI: 10.7270/Q23B619Q |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50401871
(CHEMBL2205381)Show SMILES OC[C@H]1O[C@H](Oc2cccc3ccccc23)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C15H16O5/c16-8-12-13(17)14(18)15(20-12)19-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-18H,8H2/t12-,13-,14-,15+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.85E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged c-Src preincubated for 30 mins measured after 60 mins |
Bioorg Med Chem 20: 6821-30 (2012)
Article DOI: 10.1016/j.bmc.2012.09.057
BindingDB Entry DOI: 10.7270/Q23B619Q |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50401870
(CHEMBL2205382)Show SMILES OC[C@H]1O[C@@H](Oc2ccc3ccccc3c2)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C15H16O5/c16-8-12-13(17)14(18)15(20-12)19-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-18H,8H2/t12-,13-,14-,15-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.25E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged c-Src preincubated for 30 mins measured after 60 mins |
Bioorg Med Chem 20: 6821-30 (2012)
Article DOI: 10.1016/j.bmc.2012.09.057
BindingDB Entry DOI: 10.7270/Q23B619Q |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50401863
(CHEMBL2205394)Show SMILES OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C11H14O6/c12-5-8-9(14)10(15)11(17-8)16-7-3-1-6(13)2-4-7/h1-4,8-15H,5H2/t8-,9-,10-,11-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.72E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged c-Src preincubated for 30 mins measured after 60 mins |
Bioorg Med Chem 20: 6821-30 (2012)
Article DOI: 10.1016/j.bmc.2012.09.057
BindingDB Entry DOI: 10.7270/Q23B619Q |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50401869
(CHEMBL2205383)Show SMILES OC[C@H]1O[C@H](Oc2ccc3ccccc3c2)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C15H16O5/c16-8-12-13(17)14(18)15(20-12)19-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-18H,8H2/t12-,13-,14-,15+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.97E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged c-Src preincubated for 30 mins measured after 60 mins |
Bioorg Med Chem 20: 6821-30 (2012)
Article DOI: 10.1016/j.bmc.2012.09.057
BindingDB Entry DOI: 10.7270/Q23B619Q |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50401867
(CHEMBL2205387)Show SMILES Cc1cccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C12H16O5/c1-7-3-2-4-8(5-7)16-12-11(15)10(14)9(6-13)17-12/h2-5,9-15H,6H2,1H3/t9-,10-,11-,12+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.51E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged c-Src preincubated for 30 mins measured after 60 mins |
Bioorg Med Chem 20: 6821-30 (2012)
Article DOI: 10.1016/j.bmc.2012.09.057
BindingDB Entry DOI: 10.7270/Q23B619Q |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50401864
(CHEMBL2205392)Show SMILES COc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C12H16O6/c1-16-7-2-4-8(5-3-7)17-12-11(15)10(14)9(6-13)18-12/h2-5,9-15H,6H2,1H3/t9-,10-,11-,12-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.84E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged c-Src preincubated for 30 mins measured after 60 mins |
Bioorg Med Chem 20: 6821-30 (2012)
Article DOI: 10.1016/j.bmc.2012.09.057
BindingDB Entry DOI: 10.7270/Q23B619Q |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50401872
(CHEMBL2205380)Show SMILES OC[C@H]1O[C@@H](Oc2cccc3ccccc23)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C15H16O5/c16-8-12-13(17)14(18)15(20-12)19-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-18H,8H2/t12-,13-,14-,15-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.37E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged c-Src preincubated for 30 mins measured after 60 mins |
Bioorg Med Chem 20: 6821-30 (2012)
Article DOI: 10.1016/j.bmc.2012.09.057
BindingDB Entry DOI: 10.7270/Q23B619Q |
More data for this
Ligand-Target Pair | |
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