Found 13 hits of Enzyme Inhibition Constant Data 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 |
|---|
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50429458
(CHEMBL2332354 | Catalposide)Show SMILES OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](OC(=O)c4ccc(O)cc4)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O |r,c:8| Show InChI InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2/t11-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a |
Universit£ di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant Hsp90 alpha (unknown origin) by surface plasmon resonance |
J Med Chem 56: 1583-95 (2013)
Article DOI: 10.1021/jm301398y
BindingDB Entry DOI: 10.7270/Q2K938W3 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50429456
(3,4-Dihydrocatalposide | CHEMBL2332365)Show SMILES OC[C@H]1O[C@@H](O[C@@H]2OCC[C@H]3[C@H](OC(=O)c4ccc(O)cc4)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C22H28O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-4,11-18,20-21,23-28H,5-8H2/t11-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a |
Universit£ di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant Hsp90 alpha (unknown origin) by surface plasmon resonance |
J Med Chem 56: 1583-95 (2013)
Article DOI: 10.1021/jm301398y
BindingDB Entry DOI: 10.7270/Q2K938W3 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50429454
(CHEMBL2332346)Show SMILES OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@@H](C[C@@](O)(CO)[C@@H]23)OC(=O)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r,c:8| Show InChI InChI=1S/C22H28O12/c23-8-14-16(26)17(27)18(28)21(33-14)34-20-15-12(5-6-31-20)13(7-22(15,30)9-24)32-19(29)10-1-3-11(25)4-2-10/h1-6,12-18,20-21,23-28,30H,7-9H2/t12-,13+,14+,15+,16+,17-,18+,20-,21-,22+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a |
Universit£ di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant Hsp90 alpha (unknown origin) by surface plasmon resonance |
J Med Chem 56: 1583-95 (2013)
Article DOI: 10.1021/jm301398y
BindingDB Entry DOI: 10.7270/Q2K938W3 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50429448
(CHEMBL2332347 | Catalpin)Show SMILES O[C@@H]1C[C@H]2[C@@H](C[C@@]3(O)CO[C@@H](O1)[C@@H]23)OC(=O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C16H18O7/c17-9-3-1-8(2-4-9)14(19)22-11-6-16(20)7-21-15-13(16)10(11)5-12(18)23-15/h1-4,10-13,15,17-18,20H,5-7H2/t10-,11+,12-,13+,15-,16+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 5.93E+3 | n/a | n/a | n/a | n/a | n/a |
Universit£ di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant Hsp90 alpha (unknown origin) by surface plasmon resonance |
J Med Chem 56: 1583-95 (2013)
Article DOI: 10.1021/jm301398y
BindingDB Entry DOI: 10.7270/Q2K938W3 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50429451
(CHEMBL2332366)Show SMILES OC[C@]1(O)C[C@@H](OC(=O)c2ccc(O)cc2)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](COC(=O)c4ccc(O)cc4)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12 |r,c:18| Show InChI InChI=1S/C29H32O14/c30-13-29(38)11-19(41-26(37)15-3-7-17(32)8-4-15)18-9-10-39-27(21(18)29)43-28-24(35)23(34)22(33)20(42-28)12-40-25(36)14-1-5-16(31)6-2-14/h1-10,18-24,27-28,30-35,38H,11-13H2/t18-,19+,20+,21+,22+,23-,24+,27-,28-,29+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 139 | n/a | n/a | n/a | n/a | n/a |
Universit£ di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant Hsp90 alpha (unknown origin) by surface plasmon resonance |
J Med Chem 56: 1583-95 (2013)
Article DOI: 10.1021/jm301398y
BindingDB Entry DOI: 10.7270/Q2K938W3 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50429455
(CHEMBL2332355 | Specioside)Show SMILES OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](OC(=O)\C=C\c4ccc(O)cc4)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O |r,c:8| Show InChI InChI=1S/C24H28O12/c25-9-14-17(29)18(30)19(31)23(33-14)35-22-16-13(7-8-32-22)20(21-24(16,10-26)36-21)34-15(28)6-3-11-1-4-12(27)5-2-11/h1-8,13-14,16-23,25-27,29-31H,9-10H2/b6-3+/t13-,14-,16-,17-,18+,19-,20+,21+,22+,23+,24-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a |
Universit£ di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant Hsp90 alpha (unknown origin) by surface plasmon resonance |
J Med Chem 56: 1583-95 (2013)
Article DOI: 10.1021/jm301398y
BindingDB Entry DOI: 10.7270/Q2K938W3 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50429453
(Argenteoside B | CHEMBL2332353)Show SMILES OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](OC(=O)[C@H]4[C@@H]([C@@H]([C@H]4c4ccc(O)cc4)C(=O)O[C@@H]4[C@@H]5O[C@]5(CO)[C@@H]5[C@H]4C=CO[C@H]5O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c4ccc(O)cc4)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O |r,c:8,41| Show InChI InChI=1S/C48H56O24/c49-13-23-31(55)33(57)35(59)45(65-23)69-43-29-21(9-11-63-43)37(39-47(29,15-51)71-39)67-41(61)27-25(17-1-5-19(53)6-2-17)28(26(27)18-3-7-20(54)8-4-18)42(62)68-38-22-10-12-64-44(30(22)48(16-52)40(38)72-48)70-46-36(60)34(58)32(56)24(14-50)66-46/h1-12,21-40,43-46,49-60H,13-16H2/t21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,37+,38+,39+,40+,43+,44+,45+,46+,47-,48-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a |
Universit£ di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant Hsp90 alpha (unknown origin) by surface plasmon resonance |
J Med Chem 56: 1583-95 (2013)
Article DOI: 10.1021/jm301398y
BindingDB Entry DOI: 10.7270/Q2K938W3 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50347503
(RADICICOL)Show SMILES C[C@@H]1C[C@@H]2O[C@@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,w:9.10,7.8| 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/t9-,14-,15+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a |
Universit£ di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant Hsp90 alpha (unknown origin) by surface plasmon resonance |
J Med Chem 56: 1583-95 (2013)
Article DOI: 10.1021/jm301398y
BindingDB Entry DOI: 10.7270/Q2K938W3 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50429449
(CHEMBL2332356 | Rehmaglutin A)Show SMILES O[C@@H]1[C@@H](O)[C@@]2(O)CO[C@H]3OCC[C@@H]1[C@@H]23 |r| Show InChI InChI=1S/C9H14O5/c10-6-4-1-2-13-8-5(4)9(12,3-14-8)7(6)11/h4-8,10-12H,1-3H2/t4-,5-,6+,7-,8-,9-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.39E+3 | n/a | n/a | n/a | n/a | n/a |
Universit£ di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant Hsp90 alpha (unknown origin) by surface plasmon resonance |
J Med Chem 56: 1583-95 (2013)
Article DOI: 10.1021/jm301398y
BindingDB Entry DOI: 10.7270/Q2K938W3 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50429450
(VERMINOSIDE)Show SMILES OC[C@H]1O[C@@H](O[C@H]2OC=CC3[C@@H](OC(=O)\C=C\c4ccc(O)c(O)c4)[C@H]4O[C@@]4(CO)C23)[C@H](O)[C@@H](O)[C@@H]1O |r,c:8| Show InChI InChI=1S/C24H28O13/c25-8-14-17(30)18(31)19(32)23(34-14)36-22-16-11(5-6-33-22)20(21-24(16,9-26)37-21)35-15(29)4-2-10-1-3-12(27)13(28)7-10/h1-7,11,14,16-23,25-28,30-32H,8-9H2/b4-2+/t11?,14-,16?,17-,18+,19-,20-,21-,22-,23+,24+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 348 | n/a | n/a | n/a | n/a | n/a |
Universit£ di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant Hsp90 alpha (unknown origin) by surface plasmon resonance |
J Med Chem 56: 1583-95 (2013)
Article DOI: 10.1021/jm301398y
BindingDB Entry DOI: 10.7270/Q2K938W3 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM15359
((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-...)Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CC=C |r,w:16.16,38.39,t:28| 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/h8-12,15-17,19,24-25,27,29,35-37H,1,13-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9?,18-10?,20-15+,33-12?/t17-,19+,24+,25+,27-,29+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 326 | n/a | n/a | n/a | n/a | n/a |
Universit£ di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant Hsp90 alpha (unknown origin) by surface plasmon resonance |
J Med Chem 56: 1583-95 (2013)
Article DOI: 10.1021/jm301398y
BindingDB Entry DOI: 10.7270/Q2K938W3 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50429452
(CHEMBL2332361)Show SMILES OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@@H](C[C@@](O)(CO)[C@@H]23)OC(=O)\C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r,c:8| Show InChI InChI=1S/C24H30O12/c25-10-16-19(29)20(30)21(31)23(35-16)36-22-18-14(7-8-33-22)15(9-24(18,32)11-26)34-17(28)6-3-12-1-4-13(27)5-2-12/h1-8,14-16,18-23,25-27,29-32H,9-11H2/b6-3-/t14-,15+,16+,18+,19+,20-,21+,22-,23-,24+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
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 |
Universit£ di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant Hsp90 alpha (unknown origin) by surface plasmon resonance |
J Med Chem 56: 1583-95 (2013)
Article DOI: 10.1021/jm301398y
BindingDB Entry DOI: 10.7270/Q2K938W3 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50429457
(Argenteoside A | CHEMBL2332352)Show SMILES OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](OC(=O)[C@H]4[C@@H]([C@H]([C@@H]4c4ccc(O)cc4)c4ccc(O)cc4)C(=O)O[C@@H]4[C@@H]5O[C@]5(CO)[C@@H]5[C@H]4C=CO[C@H]5O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O |r,c:8,49| Show InChI InChI=1S/C48H56O24/c49-13-23-31(55)33(57)35(59)45(65-23)69-43-29-21(9-11-63-43)37(39-47(29,15-51)71-39)67-41(61)27-25(17-1-5-19(53)6-2-17)26(18-3-7-20(54)8-4-18)28(27)42(62)68-38-22-10-12-64-44(30(22)48(16-52)40(38)72-48)70-46-36(60)34(58)32(56)24(14-50)66-46/h1-12,21-40,43-46,49-60H,13-16H2/t21-,22-,23-,24-,25+,26+,27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,37+,38+,39+,40+,43+,44+,45+,46+,47-,48-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a |
Universit£ di Salerno
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant Hsp90 alpha (unknown origin) by surface plasmon resonance |
J Med Chem 56: 1583-95 (2013)
Article DOI: 10.1021/jm301398y
BindingDB Entry DOI: 10.7270/Q2K938W3 |
More data for this
Ligand-Target Pair | |
Search and Browse
