Found 30 hits with Last Name = 'bader' and Initial = 'a' 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 |
|---|
Tubulin--tyrosine ligase
(Homo sapiens (Human)) | BDBM50293285
(23,6alpha-epoxy-labd-8,13(14),17-trien-16(R),19-ol...)Show SMILES C\C(CC[C@H]1C(=C)C[C@@H]2OC[C@]3(C)CCC[C@@]1(C)[C@@H]23)=C/C[C@H]1OC(=O)C=C1C |r,c:28| Show InChI InChI=1S/C25H36O3/c1-16(8-10-20-18(3)14-22(26)28-20)7-9-19-17(2)13-21-23-24(4,15-27-21)11-6-12-25(19,23)5/h8,14,19-21,23H,2,6-7,9-13,15H2,1,3-5H3/b16-8+/t19-,20+,21-,23-,24-,25+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 8.70E+3 | n/a | n/a | n/a | n/a | n/a |
Universita di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to TTL by surface plasmon resonance |
J Med Chem 52: 3814-28 (2009)
Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50532232
(CHEMBL4570119)Show SMILES [H][C@@]12CC3[C@@H](CC(=O)[C@@]3(C)\C=C3/C(CC[C@@]3(C)O)[C@]1(C)O2)C(C)C |r,c:11| Show InChI InChI=1S/C20H30O3/c1-11(2)12-8-16(21)18(3)10-15-13(6-7-19(15,4)22)20(5)17(23-20)9-14(12)18/h10-14,17,22H,6-9H2,1-5H3/b15-10+/t12-,13?,14?,17+,18-,19+,20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human HSP90 alpha by Surface plasmon resonance analysis |
J Nat Prod 82: 539-549 (2019)
Article DOI: 10.1021/acs.jnatprod.8b00924
BindingDB Entry DOI: 10.7270/Q2JD518M |
More data for this
Ligand-Target Pair | |
Tubulin--tyrosine ligase
(Homo sapiens (Human)) | BDBM50293287
(8alpha-hydroxylabd-13(14),15,17-trien-6alpha,23-16...)Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@@H]2OC(=O)[C@]3(C)CCC[C@@]1(C)[C@@H]23)=C/C=C1\OC(=O)C=C1C |r,c:30| Show InChI InChI=1S/C25H34O5/c1-15(7-9-17-16(2)13-20(26)29-17)8-10-19-23(3)11-6-12-24(4)21(23)18(30-22(24)27)14-25(19,5)28/h7,9,13,18-19,21,28H,6,8,10-12,14H2,1-5H3/b15-7+,17-9-/t18-,19+,21+,23+,24+,25+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a |
Universita di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to TTL by surface plasmon resonance |
J Med Chem 52: 3814-28 (2009)
Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD |
More data for this
Ligand-Target Pair | |
Tubulin--tyrosine ligase
(Homo sapiens (Human)) | BDBM50293288
(6alpha,8alpha-dihydroxy-23-oxo-13(14),15,17-trien-...)Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@H]2[C@@](C)(CCC[C@]12C)C=O)=C/C=C1\OC(=O)C=C1C |r,c:29| Show InChI InChI=1S/C25H36O5/c1-16(7-9-19-17(2)13-21(28)30-19)8-10-20-24(4)12-6-11-23(3,15-26)22(24)18(27)14-25(20,5)29/h7,9,13,15,18,20,22,27,29H,6,8,10-12,14H2,1-5H3/b16-7+,19-9-/t18-,20+,22-,23-,24+,25+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a |
Universita di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to TTL by surface plasmon resonance |
J Med Chem 52: 3814-28 (2009)
Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD |
More data for this
Ligand-Target Pair | |
Tubulin--tyrosine ligase
(Homo sapiens (Human)) | BDBM50293289
(6alpha,8alpha-dihydroxy-23-carbossi-labd-13(14),15...)Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@@H]2[C@]1(C)CCC[C@@]2(C)C(O)=O)=C/C=C1\OC(=O)C=C1C |r,c:30| Show InChI InChI=1S/C25H36O6/c1-15(7-9-18-16(2)13-20(27)31-18)8-10-19-23(3)11-6-12-24(4,22(28)29)21(23)17(26)14-25(19,5)30/h7,9,13,17,19,21,26,30H,6,8,10-12,14H2,1-5H3,(H,28,29)/b15-7+,18-9-/t17-,19+,21+,23+,24+,25+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a |
Universita di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to TTL by surface plasmon resonance |
J Med Chem 52: 3814-28 (2009)
Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD |
More data for this
Ligand-Target Pair | |
Tubulin--tyrosine ligase
(Homo sapiens (Human)) | BDBM50293290
(6alpha,8alpha,23-trihydroxy-labd-13(14),15,17-trie...)Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@H]2[C@](C)(CO)CCC[C@]12C)=C/C=C1\OC(=O)C=C1C |r,c:29| Show InChI InChI=1S/C25H38O5/c1-16(7-9-19-17(2)13-21(28)30-19)8-10-20-24(4)12-6-11-23(3,15-26)22(24)18(27)14-25(20,5)29/h7,9,13,18,20,22,26-27,29H,6,8,10-12,14-15H2,1-5H3/b16-7+,19-9-/t18-,20+,22-,23-,24+,25+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a |
Universita di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to TTL by surface plasmon resonance |
J Med Chem 52: 3814-28 (2009)
Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD |
More data for this
Ligand-Target Pair | |
Tubulin--tyrosine ligase
(Homo sapiens (Human)) | BDBM50293291
(6alpha,15(S)-dihydroxy-23-oxo-labd-8(22),13(14),17...)Show SMILES C\C(CC[C@H]1C(=C)C[C@H](O)[C@H]2[C@@](C)(CCC[C@]12C)C=O)=C/[C@H](O)[C@H]1OC(=O)C=C1C |r,c:29| Show InChI InChI=1S/C25H36O5/c1-15(11-19(27)22-17(3)13-21(29)30-22)7-8-18-16(2)12-20(28)23-24(4,14-26)9-6-10-25(18,23)5/h11,13-14,18-20,22-23,27-28H,2,6-10,12H2,1,3-5H3/b15-11+/t18-,19-,20-,22-,23-,24-,25+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a |
Universita di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to TTL by surface plasmon resonance |
J Med Chem 52: 3814-28 (2009)
Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD |
More data for this
Ligand-Target Pair | |
Tubulin--tyrosine ligase
(Homo sapiens (Human)) | BDBM50293292
(6alpha,15(S),23-trihydroxy-labd-8(22),13(14),17-tr...)Show SMILES C\C(CC[C@H]1C(=C)C[C@H](O)[C@H]2[C@](C)(CO)CCC[C@]12C)=C/[C@H](O)[C@H]1OC(=O)C=C1C |r,c:29| Show InChI InChI=1S/C25H38O5/c1-15(11-19(27)22-17(3)13-21(29)30-22)7-8-18-16(2)12-20(28)23-24(4,14-26)9-6-10-25(18,23)5/h11,13,18-20,22-23,26-28H,2,6-10,12,14H2,1,3-5H3/b15-11+/t18-,19-,20-,22-,23-,24-,25+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a |
Universita di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to TTL by surface plasmon resonance |
J Med Chem 52: 3814-28 (2009)
Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD |
More data for this
Ligand-Target Pair | |
Tubulin--tyrosine ligase
(Homo sapiens (Human)) | BDBM50293293
(6alpha,8alpha-dihydroxy-23-oxo-labd-13(14),17-dien...)Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@H]2[C@@](C)(CCC[C@]12C)C=O)=C/C[C@H]1OC(=O)C=C1C |r,c:29| Show InChI InChI=1S/C25H38O5/c1-16(7-9-19-17(2)13-21(28)30-19)8-10-20-24(4)12-6-11-23(3,15-26)22(24)18(27)14-25(20,5)29/h7,13,15,18-20,22,27,29H,6,8-12,14H2,1-5H3/b16-7+/t18-,19+,20+,22-,23-,24+,25+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 810 | n/a | n/a | n/a | n/a | n/a |
Universita di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to TTL by surface plasmon resonance |
J Med Chem 52: 3814-28 (2009)
Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD |
More data for this
Ligand-Target Pair | |
Tubulin--tyrosine ligase
(Homo sapiens (Human)) | BDBM50293294
(6alpha,8alpha,15(S)-trihydroxy-23-oxo-labd-13(14),...)Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@H]2[C@@](C)(CCC[C@]12C)C=O)=C/[C@H](O)[C@H]1OC(=O)C=C1C |r,c:30| Show InChI InChI=1S/C25H38O6/c1-15(11-17(27)21-16(2)12-20(29)31-21)7-8-19-24(4)10-6-9-23(3,14-26)22(24)18(28)13-25(19,5)30/h11-12,14,17-19,21-22,27-28,30H,6-10,13H2,1-5H3/b15-11+/t17-,18-,19+,21-,22-,23-,24+,25+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a |
Universita di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to TTL by surface plasmon resonance |
J Med Chem 52: 3814-28 (2009)
Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD |
More data for this
Ligand-Target Pair | |
Tubulin--tyrosine ligase
(Homo sapiens (Human)) | BDBM50293295
(6alpha,8alpha,15(S)-trihydroxy-23-carbossimethylla...)Show SMILES COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H](CC\C(C)=C\[C@H](O)[C@H]3OC(=O)C=C3C)[C@](C)(O)C[C@H](O)[C@@H]12 |r,c:23| Show InChI InChI=1S/C26H40O7/c1-15(12-17(27)21-16(2)13-20(29)33-21)8-9-19-24(3)10-7-11-25(4,23(30)32-6)22(24)18(28)14-26(19,5)31/h12-13,17-19,21-22,27-28,31H,7-11,14H2,1-6H3/b15-12+/t17-,18-,19+,21-,22+,24+,25+,26+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a |
Universita di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to TTL by surface plasmon resonance |
J Med Chem 52: 3814-28 (2009)
Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD |
More data for this
Ligand-Target Pair | |
Tubulin--tyrosine ligase
(Homo sapiens (Human)) | BDBM50293296
(6alpha,8alpha-dihydroxy-23-carbossi-labd-13(14),17...)Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@@H]2[C@]1(C)CCC[C@@]2(C)C(O)=O)=C/CC1OC(=O)C=C1C |r,c:30| Show InChI InChI=1S/C25H38O6/c1-15(7-9-18-16(2)13-20(27)31-18)8-10-19-23(3)11-6-12-24(4,22(28)29)21(23)17(26)14-25(19,5)30/h7,13,17-19,21,26,30H,6,8-12,14H2,1-5H3,(H,28,29)/b15-7+/t17-,18?,19+,21+,23+,24+,25+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a |
Universita di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to TTL by surface plasmon resonance |
J Med Chem 52: 3814-28 (2009)
Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD |
More data for this
Ligand-Target Pair | |
Tubulin--tyrosine ligase
(Homo sapiens (Human)) | BDBM50293297
(6alpha,8alpha,15(S)-trihydroxy-23-carbossi-labd-13...)Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@@H]2[C@]1(C)CCC[C@@]2(C)C(O)=O)=C/[C@H](O)[C@H]1OC(=O)C=C1C |r,c:31| Show InChI InChI=1S/C25H38O7/c1-14(11-16(26)20-15(2)12-19(28)32-20)7-8-18-23(3)9-6-10-24(4,22(29)30)21(23)17(27)13-25(18,5)31/h11-12,16-18,20-21,26-27,31H,6-10,13H2,1-5H3,(H,29,30)/b14-11+/t16-,17-,18+,20-,21+,23+,24+,25+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a |
Universita di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to TTL by surface plasmon resonance |
J Med Chem 52: 3814-28 (2009)
Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD |
More data for this
Ligand-Target Pair | |
Tubulin--tyrosine ligase
(Homo sapiens (Human)) | BDBM50293298
(6alpha,8alpha,23-trihydroxy-labd-13(14),17-dien-16...)Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@H]2[C@](C)(CO)CCC[C@]12C)=C/C[C@H]1OC(=O)C=C1C |r,c:29| Show InChI InChI=1S/C25H40O5/c1-16(7-9-19-17(2)13-21(28)30-19)8-10-20-24(4)12-6-11-23(3,15-26)22(24)18(27)14-25(20,5)29/h7,13,18-20,22,26-27,29H,6,8-12,14-15H2,1-5H3/b16-7+/t18-,19+,20+,22-,23-,24+,25+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a |
Universita di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to TTL by surface plasmon resonance |
J Med Chem 52: 3814-28 (2009)
Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD |
More data for this
Ligand-Target Pair | |
Tubulin--tyrosine ligase
(Homo sapiens (Human)) | BDBM50293299
(6alpha,8alpha,15(S),23-tetrahydroxy-labd-13(14),17...)Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@H]2[C@](C)(CO)CCC[C@]12C)=C/[C@H](O)[C@H]1OC(=O)C=C1C |r,c:30| Show InChI InChI=1S/C25H40O6/c1-15(11-17(27)21-16(2)12-20(29)31-21)7-8-19-24(4)10-6-9-23(3,14-26)22(24)18(28)13-25(19,5)30/h11-12,17-19,21-22,26-28,30H,6-10,13-14H2,1-5H3/b15-11+/t17-,18-,19+,21-,22-,23-,24+,25+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a |
Universita di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to TTL by surface plasmon resonance |
J Med Chem 52: 3814-28 (2009)
Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD |
More data for this
Ligand-Target Pair | |
Tubulin--tyrosine ligase
(Homo sapiens (Human)) | BDBM50293300
(8alpha-hydroxy,23alpha-O-ethyl-23,6alpha-epoxy-lab...)Show SMILES CCO[C@H]1O[C@H]2C[C@@](C)(O)[C@H](CC\C(C)=C\C[C@H]3OC(=O)C=C3C)[C@@]3(C)CCC[C@]1(C)[C@H]23 |r,c:21| Show InChI InChI=1S/C27H42O5/c1-7-30-24-26(5)14-8-13-25(4)21(27(6,29)16-20(32-24)23(25)26)12-10-17(2)9-11-19-18(3)15-22(28)31-19/h9,15,19-21,23-24,29H,7-8,10-14,16H2,1-6H3/b17-9+/t19-,20+,21-,23-,24+,25-,26-,27-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a |
Universita di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to TTL by surface plasmon resonance |
J Med Chem 52: 3814-28 (2009)
Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD |
More data for this
Ligand-Target Pair | |
Tubulin--tyrosine ligase
(Homo sapiens (Human)) | BDBM50293301
(8alpha,15(S)-dihydroxy,23alpha-O-ethyl-23,6alpha-e...)Show SMILES CCO[C@H]1O[C@H]2C[C@@](C)(O)[C@H](CC\C(C)=C\[C@H](O)[C@H]3OC(=O)C=C3C)[C@@]3(C)CCC[C@]1(C)[C@H]23 |r,c:22| Show InChI InChI=1S/C27H42O6/c1-7-31-24-26(5)12-8-11-25(4)20(27(6,30)15-19(32-24)23(25)26)10-9-16(2)13-18(28)22-17(3)14-21(29)33-22/h13-14,18-20,22-24,28,30H,7-12,15H2,1-6H3/b16-13+/t18-,19-,20+,22-,23+,24-,25+,26+,27+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | 960 | n/a | n/a | n/a | n/a | n/a |
Universita di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to TTL by surface plasmon resonance |
J Med Chem 52: 3814-28 (2009)
Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD |
More data for this
Ligand-Target Pair | |
Tubulin--tyrosine ligase
(Homo sapiens (Human)) | BDBM50293302
(8alpha,15(S),23alpha-trihydroxy-23,6alpha-epoxy-la...)Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@@H]2O[C@H](O)[C@]3(C)CCC[C@@]1(C)[C@@H]23)=C/[C@H](O)[C@H]1OC(=O)C=C1C |r,c:31| Show InChI InChI=1S/C25H38O6/c1-14(11-16(26)20-15(2)12-19(27)31-20)7-8-18-23(3)9-6-10-24(4)21(23)17(30-22(24)28)13-25(18,5)29/h11-12,16-18,20-22,26,28-29H,6-10,13H2,1-5H3/b14-11+/t16-,17-,18+,20-,21+,22-,23+,24+,25+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.10E+5 | n/a | n/a | n/a | n/a | n/a |
Universita di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to TTL by surface plasmon resonance |
J Med Chem 52: 3814-28 (2009)
Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50532223
(Hypoestenone)Show SMILES [H][C@@]12CC(=O)C(C)=C1C[C@]1(C)C(=O)C[C@@H](C(C)C)[C@@]1([H])C\C=C2\C |r,c:6,23| Show InChI InChI=1S/C20H28O2/c1-11(2)14-9-19(22)20(5)10-16-13(4)18(21)8-15(16)12(3)6-7-17(14)20/h6,11,14-15,17H,7-10H2,1-5H3/b12-6-/t14-,15-,17+,20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human HSP90 alpha by Surface plasmon resonance analysis |
J Nat Prod 82: 539-549 (2019)
Article DOI: 10.1021/acs.jnatprod.8b00924
BindingDB Entry DOI: 10.7270/Q2JD518M |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50532224
(CHEMBL4530479)Show SMILES [H][C@]12C\C=C(C)/C3CCC(C)\C3=C\[C@]1(C)C(=O)C[C@H]2C(C)C |r,c:12,t:3| Show InChI InChI=1S/C20H30O/c1-12(2)16-10-19(21)20(5)11-17-14(4)6-8-15(17)13(3)7-9-18(16)20/h7,11-12,14-16,18H,6,8-10H2,1-5H3/b13-7-,17-11-/t14?,15?,16-,18+,20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human HSP90 alpha by Surface plasmon resonance analysis |
J Nat Prod 82: 539-549 (2019)
Article DOI: 10.1021/acs.jnatprod.8b00924
BindingDB Entry DOI: 10.7270/Q2JD518M |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50532225
(CHEMBL4557055)Show SMILES [H][C@@]12CC(=O)C(C)=C1C[C@]1(C)C(=O)C=C(C(C)C)[C@@]1([H])C\C=C2\C |r,c:6,23,t:14| Show InChI InChI=1S/C20H26O2/c1-11(2)14-9-19(22)20(5)10-16-13(4)18(21)8-15(16)12(3)6-7-17(14)20/h6,9,11,15,17H,7-8,10H2,1-5H3/b12-6-/t15-,17+,20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.74E+3 | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human HSP90 alpha by Surface plasmon resonance analysis |
J Nat Prod 82: 539-549 (2019)
Article DOI: 10.1021/acs.jnatprod.8b00924
BindingDB Entry DOI: 10.7270/Q2JD518M |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50532226
(CHEMBL4522895)Show SMILES [H][C@@]12CC(=O)C(C)=C1C[C@]1(C)CC[C@@H](C(C)C)[C@@]1([H])C\C=C2\C |r,c:6,22| Show InChI InChI=1S/C20H30O/c1-12(2)15-8-9-20(5)11-17-14(4)19(21)10-16(17)13(3)6-7-18(15)20/h6,12,15-16,18H,7-11H2,1-5H3/b13-6-/t15-,16-,18+,20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human HSP90 alpha by Surface plasmon resonance analysis |
J Nat Prod 82: 539-549 (2019)
Article DOI: 10.1021/acs.jnatprod.8b00924
BindingDB Entry DOI: 10.7270/Q2JD518M |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50532227
(CHEMBL4447639)Show SMILES [H][C@@]12CC(=O)C(C)=C1C[C@]1(C)C(=O)C[C@H]([C@@]1([H])C\C=C2\C)C(C)(C)O |r,c:6,20| Show InChI InChI=1S/C20H28O3/c1-11-6-7-15-16(19(3,4)23)9-18(22)20(15,5)10-14-12(2)17(21)8-13(11)14/h6,13,15-16,23H,7-10H2,1-5H3/b11-6-/t13-,15+,16+,20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human HSP90 alpha by Surface plasmon resonance analysis |
J Nat Prod 82: 539-549 (2019)
Article DOI: 10.1021/acs.jnatprod.8b00924
BindingDB Entry DOI: 10.7270/Q2JD518M |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50532228
(CHEMBL4593485)Show SMILES [H][C@@]12CC(=O)[C@@H](C)C11C[C@]3(C)C(=O)C=C(C(C)C)C3(CC=C2C)O1 |r,c:22,t:14| Show InChI InChI=1S/C20H26O3/c1-11(2)14-9-17(22)18(5)10-19-13(4)16(21)8-15(19)12(3)6-7-20(14,18)23-19/h6,9,11,13,15H,7-8,10H2,1-5H3/t13-,15+,18-,19?,20?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 217 | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human HSP90 alpha by Surface plasmon resonance analysis |
J Nat Prod 82: 539-549 (2019)
Article DOI: 10.1021/acs.jnatprod.8b00924
BindingDB Entry DOI: 10.7270/Q2JD518M |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50532229
(CHEMBL4465174)Show SMILES [H][C@@]12C[C@]3([H])[C@@H](CC[C@@]3(C)C[C@@]3([H])C(=C)CC[C@@]3([H])[C@]1(C)O2)C(C)C |r| Show InChI InChI=1S/C20H32O/c1-12(2)14-8-9-19(4)11-15-13(3)6-7-16(15)20(5)18(21-20)10-17(14)19/h12,14-18H,3,6-11H2,1-2,4-5H3/t14-,15-,16+,17+,18+,19-,20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human HSP90 alpha by Surface plasmon resonance analysis |
J Nat Prod 82: 539-549 (2019)
Article DOI: 10.1021/acs.jnatprod.8b00924
BindingDB Entry DOI: 10.7270/Q2JD518M |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008057
(BMS-722782 | CHEBI:64153 | TANESPIMYCIN)Show SMILES CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,23,t:15,21,34| Show InChI InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 388 | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human HSP90 alpha by Surface plasmon resonance analysis |
J Nat Prod 82: 539-549 (2019)
Article DOI: 10.1021/acs.jnatprod.8b00924
BindingDB Entry DOI: 10.7270/Q2JD518M |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50532230
(CHEMBL4455666)Show SMILES [H][C@@]12CC(=O)[C@@](CC(=O)[C@@]3(C)CC4=C(C)C(=O)C[C@@]4([H])[C@]1(C)O3)(O2)C(C)C |r,c:12| Show InChI InChI=1S/C20H26O5/c1-10(2)20-9-16(23)18(4)8-12-11(3)14(21)6-13(12)19(5,25-18)17(24-20)7-15(20)22/h10,13,17H,6-9H2,1-5H3/t13-,17-,18-,19+,20+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human HSP90 alpha by Surface plasmon resonance analysis |
J Nat Prod 82: 539-549 (2019)
Article DOI: 10.1021/acs.jnatprod.8b00924
BindingDB Entry DOI: 10.7270/Q2JD518M |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50532231
(CHEMBL4584956)Show SMILES [H][C@]12C\C=C(C)/[C@]3([H])CCC(=C)[C@]3([H])C[C@]1(C)C(=O)C[C@H]2C(C)C |r,t:3| Show InChI InChI=1S/C20H30O/c1-12(2)16-10-19(21)20(5)11-17-14(4)6-8-15(17)13(3)7-9-18(16)20/h7,12,15-18H,4,6,8-11H2,1-3,5H3/b13-7-/t15-,16-,17-,18+,20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 401 | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human HSP90 alpha by Surface plasmon resonance analysis |
J Nat Prod 82: 539-549 (2019)
Article DOI: 10.1021/acs.jnatprod.8b00924
BindingDB Entry DOI: 10.7270/Q2JD518M |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM227589
(Radicicol)Show SMILES C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,c:7,t:9| Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2+,5-3-/t9-,14-,15-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human HSP90 alpha by Surface plasmon resonance analysis |
J Nat Prod 82: 539-549 (2019)
Article DOI: 10.1021/acs.jnatprod.8b00924
BindingDB Entry DOI: 10.7270/Q2JD518M |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tubulin--tyrosine ligase
(Homo sapiens (Human)) | BDBM50293286
(8alpha-23-dihydroxy-23,6alpha-epoxy-labd-13(14),15...)Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@@H]2OC(O)[C@]3(C)CCC[C@@]1(C)[C@@H]23)=C/C=C1\OC(=O)C=C1C |r,c:30| Show InChI InChI=1S/C25H36O5/c1-15(7-9-17-16(2)13-20(26)29-17)8-10-19-23(3)11-6-12-24(4)21(23)18(30-22(24)27)14-25(19,5)28/h7,9,13,18-19,21-22,27-28H,6,8,10-12,14H2,1-5H3/b15-7+,17-9-/t18-,19+,21+,22?,23+,24+,25+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a |
Universita di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to TTL by surface plasmon resonance |
J Med Chem 52: 3814-28 (2009)
Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD |
More data for this
Ligand-Target Pair | |
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