Found 74 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)) | BDBM50107721
(CHEMBL3600503)Show SMILES CCNC(=O)c1noc(c1C#CCN1CCS(=O)(=O)CC1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C22H27N3O6S/c1-4-23-22(28)20-15(6-5-7-25-8-10-32(29,30)11-9-25)21(31-24-20)17-12-16(14(2)3)18(26)13-19(17)27/h12-14,26-27H,4,7-11H2,1-3H3,(H,23,28) | 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 | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107725
(CHEMBL3600499)Show SMILES CCNC(=O)c1noc(c1C#CC1CC1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C20H22N2O4/c1-4-21-20(25)18-13(8-7-12-5-6-12)19(26-22-18)15-9-14(11(2)3)16(23)10-17(15)24/h9-12,23-24H,4-6H2,1-3H3,(H,21,25) | 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 | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107725
(CHEMBL3600499)Show SMILES CCNC(=O)c1noc(c1C#CC1CC1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C20H22N2O4/c1-4-21-20(25)18-13(8-7-12-5-6-12)19(26-22-18)15-9-14(11(2)3)16(23)10-17(15)24/h9-12,23-24H,4-6H2,1-3H3,(H,21,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107594
(CHEMBL3600795)Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)c1cccnc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H28N4O5/c1-6-28-25(34)22-17(9-10-26(4,5)29-24(33)16-8-7-11-27-14-16)23(35-30-22)19-12-18(15(2)3)20(31)13-21(19)32/h7-8,11-15,31-32H,6H2,1-5H3,(H,28,34)(H,29,33) | 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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107730
(CHEMBL3600494)Show SMILES CC(C)NC(=O)c1noc(c1C#Cc1ccccc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C24H24N2O4/c1-14(2)18-12-19(21(28)13-20(18)27)23-17(11-10-16-8-6-5-7-9-16)22(26-30-23)24(29)25-15(3)4/h5-9,12-15,27-28H,1-4H3,(H,25,29) | 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 | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107718
(CHEMBL3600506)Show SMILES CCNC(=O)c1noc(c1C#CN1CCN(CC1)C(=O)c1ccc(nc1)C(F)(F)F)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C28H28F3N5O5/c1-4-32-26(39)24-18(25(41-34-24)20-13-19(16(2)3)21(37)14-22(20)38)7-8-35-9-11-36(12-10-35)27(40)17-5-6-23(33-15-17)28(29,30)31/h5-6,13-16,37-38H,4,9-12H2,1-3H3,(H,32,39) | 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 | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107723
(CHEMBL3600501)Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1noc(c1C#C[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]/[#8]-[#6])-c1cc(-[#6](-[#6])-[#6])c(-[#8])cc1-[#8] Show InChI InChI=1S/C24H30N4O5/c1-5-25-24(31)22-17(7-6-10-28-11-8-16(9-12-28)26-32-4)23(33-27-22)19-13-18(15(2)3)20(29)14-21(19)30/h13-15,29-30H,5,8-12H2,1-4H3,(H,25,31) | 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 | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107679
(CHEMBL3600513)Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NC(C)=O)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C22H27N3O5/c1-7-23-21(29)19-14(8-9-22(5,6)24-13(4)26)20(30-25-19)16-10-15(12(2)3)17(27)11-18(16)28/h10-12,27-28H,7H2,1-6H3,(H,23,29)(H,24,26) | 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 | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107726
(CHEMBL3600498)Show SMILES CCNC(=O)c1noc(c1C#CC1CCCC1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C22H26N2O4/c1-4-23-22(27)20-15(10-9-14-7-5-6-8-14)21(28-24-20)17-11-16(13(2)3)18(25)12-19(17)26/h11-14,25-26H,4-8H2,1-3H3,(H,23,27) | 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 | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107591
(CHEMBL3600798)Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)c1ccc(OC)nc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C27H30N4O6/c1-7-28-26(35)23-17(24(37-31-23)19-12-18(15(2)3)20(32)13-21(19)33)10-11-27(4,5)30-25(34)16-8-9-22(36-6)29-14-16/h8-9,12-15,32-33H,7H2,1-6H3,(H,28,35)(H,30,34) | 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 | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM20926
(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H31N3O5/c1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31/h5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107589
(CHEMBL3600800)Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)c1ccc(F)nc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H27FN4O5/c1-6-28-25(35)22-16(9-10-26(4,5)30-24(34)15-7-8-21(27)29-13-15)23(36-31-22)18-11-17(14(2)3)19(32)12-20(18)33/h7-8,11-14,32-33H,6H2,1-5H3,(H,28,35)(H,30,34) | 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 | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107732
(CHEMBL3600434)Show SMILES CC(C)c1cc(-c2onc(C(N)=O)c2C#CCN2CCOCC2)c(O)cc1O Show InChI InChI=1S/C20H23N3O5/c1-12(2)14-10-15(17(25)11-16(14)24)19-13(18(20(21)26)22-28-19)4-3-5-23-6-8-27-9-7-23/h10-12,24-25H,5-9H2,1-2H3,(H2,21,26) | 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 | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107690
(CHEMBL3600508)Show SMILES CCNC(=O)c1noc(c1C#CCNC(=O)c1ccc(nc1)C(F)(F)F)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C25H23F3N4O5/c1-4-29-24(36)21-15(22(37-32-21)17-10-16(13(2)3)18(33)11-19(17)34)6-5-9-30-23(35)14-7-8-20(31-12-14)25(26,27)28/h7-8,10-13,33-34H,4,9H2,1-3H3,(H,29,36)(H,30,35) | 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 | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107724
(CHEMBL3600500)Show SMILES CCNC(=O)c1noc(c1C#CCN1CCOCC1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C22H27N3O5/c1-4-23-22(28)20-15(6-5-7-25-8-10-29-11-9-25)21(30-24-20)17-12-16(14(2)3)18(26)13-19(17)27/h12-14,26-27H,4,7-11H2,1-3H3,(H,23,28) | 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 | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107615
(CHEMBL3600790)Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)N(C)C)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C23H30N4O5/c1-8-24-21(30)19-14(9-10-23(4,5)25-22(31)27(6)7)20(32-26-19)16-11-15(13(2)3)17(28)12-18(16)29/h11-13,28-29H,8H2,1-7H3,(H,24,30)(H,25,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107592
(CHEMBL3600797)Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)c1cnc2ccccc2c1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C30H30N4O5/c1-6-31-29(38)26-20(27(39-34-26)22-14-21(17(2)3)24(35)15-25(22)36)11-12-30(4,5)33-28(37)19-13-18-9-7-8-10-23(18)32-16-19/h7-10,13-17,35-36H,6H2,1-5H3,(H,31,38)(H,33,37) | 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 | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107589
(CHEMBL3600800)Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)c1ccc(F)nc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H27FN4O5/c1-6-28-25(35)22-16(9-10-26(4,5)30-24(34)15-7-8-21(27)29-13-15)23(36-31-22)18-11-17(14(2)3)19(32)12-20(18)33/h7-8,11-14,32-33H,6H2,1-5H3,(H,28,35)(H,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107679
(CHEMBL3600513)Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NC(C)=O)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C22H27N3O5/c1-7-23-21(29)19-14(8-9-22(5,6)24-13(4)26)20(30-25-19)16-10-15(12(2)3)17(27)11-18(16)28/h10-12,27-28H,7H2,1-6H3,(H,23,29)(H,24,26) | PDB
MMDB
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 | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107681
(CHEMBL3600512)Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NS(=O)(=O)c1ccc(C)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C27H31N3O6S/c1-7-28-26(33)24-19(25(36-29-24)21-14-20(16(2)3)22(31)15-23(21)32)12-13-27(5,6)30-37(34,35)18-10-8-17(4)9-11-18/h8-11,14-16,30-32H,7H2,1-6H3,(H,28,33) | 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 | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107724
(CHEMBL3600500)Show SMILES CCNC(=O)c1noc(c1C#CCN1CCOCC1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C22H27N3O5/c1-4-23-22(28)20-15(6-5-7-25-8-10-29-11-9-25)21(30-24-20)17-12-16(14(2)3)18(26)13-19(17)27/h12-14,26-27H,4,7-11H2,1-3H3,(H,23,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM20926
(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H31N3O5/c1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31/h5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107719
(CHEMBL3600505)Show SMILES CCNC(=O)c1noc(c1C#CN1CCC(CC1)NC(=O)c1ccc(nc1)C(F)(F)F)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C29H30F3N5O5/c1-4-33-28(41)25-19(26(42-36-25)21-13-20(16(2)3)22(38)14-23(21)39)9-12-37-10-7-18(8-11-37)35-27(40)17-5-6-24(34-15-17)29(30,31)32/h5-6,13-16,18,38-39H,4,7-8,10-11H2,1-3H3,(H,33,41)(H,35,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107721
(CHEMBL3600503)Show SMILES CCNC(=O)c1noc(c1C#CCN1CCS(=O)(=O)CC1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C22H27N3O6S/c1-4-23-22(28)20-15(6-5-7-25-8-10-32(29,30)11-9-25)21(31-24-20)17-12-16(14(2)3)18(26)13-19(17)27/h12-14,26-27H,4,7-11H2,1-3H3,(H,23,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107722
(CHEMBL3600502)Show SMILES CCNC(=O)c1noc(c1C#CCN1C[C@H](C)O[C@H](C)C1)-c1cc(C(C)C)c(O)cc1O |r| Show InChI InChI=1S/C24H31N3O5/c1-6-25-24(30)22-17(8-7-9-27-12-15(4)31-16(5)13-27)23(32-26-22)19-10-18(14(2)3)20(28)11-21(19)29/h10-11,14-16,28-29H,6,9,12-13H2,1-5H3,(H,25,30)/t15-,16+ | 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 | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107726
(CHEMBL3600498)Show SMILES CCNC(=O)c1noc(c1C#CC1CCCC1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C22H26N2O4/c1-4-23-22(27)20-15(10-9-14-7-5-6-8-14)21(28-24-20)17-11-16(13(2)3)18(25)12-19(17)26/h11-14,25-26H,4-8H2,1-3H3,(H,23,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107616
(CHEMBL3600789)Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)C1CCCCC1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C27H35N3O5/c1-6-28-26(34)23-18(12-13-27(4,5)29-25(33)17-10-8-7-9-11-17)24(35-30-23)20-14-19(16(2)3)21(31)15-22(20)32/h14-17,31-32H,6-11H2,1-5H3,(H,28,34)(H,29,33) | 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 | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107684
(CHEMBL3600511)Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NS(C)(=O)=O)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C21H27N3O6S/c1-7-22-20(27)18-13(8-9-21(4,5)24-31(6,28)29)19(30-23-18)15-10-14(12(2)3)16(25)11-17(15)26/h10-12,24-26H,7H2,1-6H3,(H,22,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 101 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107610
(CHEMBL3600792)Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)c1ccco1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C25H27N3O6/c1-6-26-24(32)21-15(9-10-25(4,5)27-23(31)20-8-7-11-33-20)22(34-28-21)17-12-16(14(2)3)18(29)13-19(17)30/h7-8,11-14,29-30H,6H2,1-5H3,(H,26,32)(H,27,31) | 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 | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107731
(CHEMBL3600435)Show SMILES CC(C)NC(=O)c1noc(c1C#CCN1CCOCC1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C23H29N3O5/c1-14(2)17-12-18(20(28)13-19(17)27)22-16(6-5-7-26-8-10-30-11-9-26)21(25-31-22)23(29)24-15(3)4/h12-15,27-28H,7-11H2,1-4H3,(H,24,29) | 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 | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107675
(CHEMBL3600514)Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)C1CC1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C24H29N3O5/c1-6-25-23(31)20-15(9-10-24(4,5)26-22(30)14-7-8-14)21(32-27-20)17-11-16(13(2)3)18(28)12-19(17)29/h11-14,28-29H,6-8H2,1-5H3,(H,25,31)(H,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107610
(CHEMBL3600792)Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)c1ccco1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C25H27N3O6/c1-6-26-24(32)21-15(9-10-25(4,5)27-23(31)20-8-7-11-33-20)22(34-28-21)17-12-16(14(2)3)18(29)13-19(17)30/h7-8,11-14,29-30H,6H2,1-5H3,(H,26,32)(H,27,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 111 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107720
(CHEMBL3600504)Show SMILES CCNC(=O)c1noc(c1C#CCN1CCSCC1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C22H27N3O4S/c1-4-23-22(28)20-15(6-5-7-25-8-10-30-11-9-25)21(29-24-20)17-12-16(14(2)3)18(26)13-19(17)27/h12-14,26-27H,4,7-11H2,1-3H3,(H,23,28) | 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 | 114 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107720
(CHEMBL3600504)Show SMILES CCNC(=O)c1noc(c1C#CCN1CCSCC1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C22H27N3O4S/c1-4-23-22(28)20-15(6-5-7-25-8-10-30-11-9-25)21(29-24-20)17-12-16(14(2)3)18(26)13-19(17)27/h12-14,26-27H,4,7-11H2,1-3H3,(H,23,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 114 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107618
(CHEMBL3600387)Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)C1CCCC1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H33N3O5/c1-6-27-25(33)22-17(11-12-26(4,5)28-24(32)16-9-7-8-10-16)23(34-29-22)19-13-18(15(2)3)20(30)14-21(19)31/h13-16,30-31H,6-10H2,1-5H3,(H,27,33)(H,28,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 116 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107592
(CHEMBL3600797)Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)c1cnc2ccccc2c1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C30H30N4O5/c1-6-31-29(38)26-20(27(39-34-26)22-14-21(17(2)3)24(35)15-25(22)36)11-12-30(4,5)33-28(37)19-13-18-9-7-8-10-23(18)32-16-19/h7-10,13-17,35-36H,6H2,1-5H3,(H,31,38)(H,33,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107684
(CHEMBL3600511)Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NS(C)(=O)=O)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C21H27N3O6S/c1-7-22-20(27)18-13(8-9-21(4,5)24-31(6,28)29)19(30-23-18)15-10-14(12(2)3)16(25)11-17(15)26/h10-12,24-26H,7H2,1-6H3,(H,22,27) | 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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107590
(CHEMBL3600799)Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)c1ccc(nc1)C(F)(F)F)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C27H27F3N4O5/c1-6-31-25(38)22-16(23(39-34-22)18-11-17(14(2)3)19(35)12-20(18)36)9-10-26(4,5)33-24(37)15-7-8-21(32-13-15)27(28,29)30/h7-8,11-14,35-36H,6H2,1-5H3,(H,31,38)(H,33,37) | 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 | 121 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107728
(CHEMBL3600496)Show SMILES CCNC(=O)c1noc(c1C#Cc1ccccc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C23H22N2O4/c1-4-24-23(28)21-16(11-10-15-8-6-5-7-9-15)22(29-25-21)18-12-17(14(2)3)19(26)13-20(18)27/h5-9,12-14,26-27H,4H2,1-3H3,(H,24,28) | 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 | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107612
(CHEMBL3600791)Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)N1CCOCC1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C25H32N4O6/c1-6-26-23(32)21-16(7-8-25(4,5)27-24(33)29-9-11-34-12-10-29)22(35-28-21)18-13-17(15(2)3)19(30)14-20(18)31/h13-15,30-31H,6,9-12H2,1-5H3,(H,26,32)(H,27,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107675
(CHEMBL3600514)Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)C1CC1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C24H29N3O5/c1-6-25-23(31)20-15(9-10-24(4,5)26-22(30)14-7-8-14)21(32-27-20)17-11-16(13(2)3)18(28)12-19(17)29/h11-14,28-29H,6-8H2,1-5H3,(H,25,31)(H,26,30) | 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 | 127 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107730
(CHEMBL3600494)Show SMILES CC(C)NC(=O)c1noc(c1C#Cc1ccccc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C24H24N2O4/c1-14(2)18-12-19(21(28)13-20(18)27)23-17(11-10-16-8-6-5-7-9-16)22(26-30-23)24(29)25-15(3)4/h5-9,12-15,27-28H,1-4H3,(H,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 133 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107722
(CHEMBL3600502)Show SMILES CCNC(=O)c1noc(c1C#CCN1C[C@H](C)O[C@H](C)C1)-c1cc(C(C)C)c(O)cc1O |r| Show InChI InChI=1S/C24H31N3O5/c1-6-25-24(30)22-17(8-7-9-27-12-15(4)31-16(5)13-27)23(32-26-22)19-10-18(14(2)3)20(28)11-21(19)29/h10-11,14-16,28-29H,6,9,12-13H2,1-5H3,(H,25,30)/t15-,16+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 135 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107727
(CHEMBL3600497)Show SMILES CCNC(=O)c1noc(c1C#CC1CCCCC1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C23H28N2O4/c1-4-24-23(28)21-16(11-10-15-8-6-5-7-9-15)22(29-25-21)18-12-17(14(2)3)19(26)13-20(18)27/h12-15,26-27H,4-9H2,1-3H3,(H,24,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 141 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107723
(CHEMBL3600501)Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1noc(c1C#C[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]/[#8]-[#6])-c1cc(-[#6](-[#6])-[#6])c(-[#8])cc1-[#8] Show InChI InChI=1S/C24H30N4O5/c1-5-25-24(31)22-17(7-6-10-28-11-8-16(9-12-28)26-32-4)23(33-27-22)19-13-18(15(2)3)20(29)14-21(19)30/h13-15,29-30H,5,8-12H2,1-4H3,(H,25,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 142 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107593
(CHEMBL3600796)Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)c1ccc(C)nc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C27H30N4O5/c1-7-28-26(35)23-18(10-11-27(5,6)30-25(34)17-9-8-16(4)29-14-17)24(36-31-23)20-12-19(15(2)3)21(32)13-22(20)33/h8-9,12-15,32-33H,7H2,1-6H3,(H,28,35)(H,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 143 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107719
(CHEMBL3600505)Show SMILES CCNC(=O)c1noc(c1C#CN1CCC(CC1)NC(=O)c1ccc(nc1)C(F)(F)F)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C29H30F3N5O5/c1-4-33-28(41)25-19(26(42-36-25)21-13-20(16(2)3)22(38)14-23(21)39)9-12-37-10-7-18(8-11-37)35-27(40)17-5-6-24(34-15-17)29(30,31)32/h5-6,13-16,18,38-39H,4,7-8,10-11H2,1-3H3,(H,33,41)(H,35,40) | 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 | 144 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107728
(CHEMBL3600496)Show SMILES CCNC(=O)c1noc(c1C#Cc1ccccc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C23H22N2O4/c1-4-24-23(28)21-16(11-10-15-8-6-5-7-9-15)22(29-25-21)18-12-17(14(2)3)19(26)13-20(18)27/h5-9,12-14,26-27H,4H2,1-3H3,(H,24,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 144 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107690
(CHEMBL3600508)Show SMILES CCNC(=O)c1noc(c1C#CCNC(=O)c1ccc(nc1)C(F)(F)F)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C25H23F3N4O5/c1-4-29-24(36)21-15(22(37-32-21)17-10-16(13(2)3)18(33)11-19(17)34)6-5-9-30-23(35)14-7-8-20(31-12-14)25(26,27)28/h7-8,10-13,33-34H,4,9H2,1-3H3,(H,29,36)(H,30,35) | PDB
MMDB
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 | 146 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107694
(CHEMBL3600507)Show SMILES CCNC(=O)c1noc(c1C#CCNC(=O)c1ccc(cc1)C(F)(F)F)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H24F3N3O5/c1-4-30-25(36)22-17(23(37-32-22)19-12-18(14(2)3)20(33)13-21(19)34)6-5-11-31-24(35)15-7-9-16(10-8-15)26(27,28)29/h7-10,12-14,33-34H,4,11H2,1-3H3,(H,30,36)(H,31,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 149 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107594
(CHEMBL3600795)Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)c1cccnc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H28N4O5/c1-6-28-25(34)22-17(9-10-26(4,5)29-24(33)16-8-7-11-27-14-16)23(35-30-22)19-12-18(15(2)3)20(31)13-21(19)32/h7-8,11-15,31-32H,6H2,1-5H3,(H,28,34)(H,29,33) | PDB
MMDB
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 | 151 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107727
(CHEMBL3600497)Show SMILES CCNC(=O)c1noc(c1C#CC1CCCCC1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C23H28N2O4/c1-4-24-23(28)21-16(11-10-15-8-6-5-7-9-15)22(29-25-21)18-12-17(14(2)3)19(26)13-20(18)27/h12-15,26-27H,4-9H2,1-3H3,(H,24,28) | 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 | 152 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107718
(CHEMBL3600506)Show SMILES CCNC(=O)c1noc(c1C#CN1CCN(CC1)C(=O)c1ccc(nc1)C(F)(F)F)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C28H28F3N5O5/c1-4-32-26(39)24-18(25(41-34-24)20-13-19(16(2)3)21(37)14-22(20)38)7-8-35-9-11-36(12-10-35)27(40)17-5-6-23(33-15-17)28(29,30)31/h5-6,13-16,37-38H,4,9-12H2,1-3H3,(H,32,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107686
(CHEMBL3600510)Show SMILES CCNC(=O)c1noc(c1C#CCNC(=O)c1cnc2ccccc2c1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C28H26N4O5/c1-4-29-28(36)25-19(26(37-32-25)21-13-20(16(2)3)23(33)14-24(21)34)9-7-11-30-27(35)18-12-17-8-5-6-10-22(17)31-15-18/h5-6,8,10,12-16,33-34H,4,11H2,1-3H3,(H,29,36)(H,30,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 167 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107731
(CHEMBL3600435)Show SMILES CC(C)NC(=O)c1noc(c1C#CCN1CCOCC1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C23H29N3O5/c1-14(2)17-12-18(20(28)13-19(17)27)22-16(6-5-7-26-8-10-30-11-9-26)21(25-31-22)23(29)24-15(3)4/h12-15,27-28H,7-11H2,1-4H3,(H,24,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 182 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107618
(CHEMBL3600387)Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)C1CCCC1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H33N3O5/c1-6-27-25(33)22-17(11-12-26(4,5)28-24(32)16-9-7-8-10-16)23(34-29-22)19-13-18(15(2)3)20(30)14-21(19)31/h13-16,30-31H,6-10H2,1-5H3,(H,27,33)(H,28,32) | 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 | 183 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107694
(CHEMBL3600507)Show SMILES CCNC(=O)c1noc(c1C#CCNC(=O)c1ccc(cc1)C(F)(F)F)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H24F3N3O5/c1-4-30-25(36)22-17(23(37-32-22)19-12-18(14(2)3)20(33)13-21(19)34)6-5-11-31-24(35)15-7-9-16(10-8-15)26(27,28)29/h7-10,12-14,33-34H,4,11H2,1-3H3,(H,30,36)(H,31,35) | 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 | 207 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107681
(CHEMBL3600512)Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NS(=O)(=O)c1ccc(C)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C27H31N3O6S/c1-7-28-26(33)24-19(25(36-29-24)21-14-20(16(2)3)22(31)15-23(21)32)12-13-27(5,6)30-37(34,35)18-10-8-17(4)9-11-18/h8-11,14-16,30-32H,7H2,1-6H3,(H,28,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 237 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107593
(CHEMBL3600796)Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)c1ccc(C)nc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C27H30N4O5/c1-7-28-26(35)23-18(10-11-27(5,6)30-25(34)17-9-8-16(4)29-14-17)24(36-31-23)20-12-19(15(2)3)21(32)13-22(20)33/h8-9,12-15,32-33H,7H2,1-6H3,(H,28,35)(H,30,34) | 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 | 295 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107615
(CHEMBL3600790)Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)N(C)C)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C23H30N4O5/c1-8-24-21(30)19-14(9-10-23(4,5)25-22(31)27(6)7)20(32-26-19)16-11-15(13(2)3)17(28)12-18(16)29/h11-13,28-29H,8H2,1-7H3,(H,24,30)(H,25,31) | 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 | 307 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107729
(CHEMBL3600495)Show SMILES CCNC(=O)c1noc(c1C#Cc1ccc(cc1)C(C)(C)C)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C27H30N2O4/c1-7-28-26(32)24-19(13-10-17-8-11-18(12-9-17)27(4,5)6)25(33-29-24)21-14-20(16(2)3)22(30)15-23(21)31/h8-9,11-12,14-16,30-31H,7H2,1-6H3,(H,28,32) | 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 | 347 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107616
(CHEMBL3600789)Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)C1CCCCC1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C27H35N3O5/c1-6-28-26(34)23-18(12-13-27(4,5)29-25(33)17-10-8-7-9-11-17)24(35-30-23)20-14-19(16(2)3)21(31)15-22(20)32/h14-17,31-32H,6-11H2,1-5H3,(H,28,34)(H,29,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 384 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107590
(CHEMBL3600799)Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)c1ccc(nc1)C(F)(F)F)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C27H27F3N4O5/c1-6-31-25(38)22-16(23(39-34-22)18-11-17(14(2)3)19(35)12-20(18)36)9-10-26(4,5)33-24(37)15-7-8-21(32-13-15)27(28,29)30/h7-8,11-14,35-36H,6H2,1-5H3,(H,31,38)(H,33,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 389 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107591
(CHEMBL3600798)Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)c1ccc(OC)nc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C27H30N4O6/c1-7-28-26(35)23-17(24(37-31-23)19-12-18(15(2)3)20(32)13-21(19)33)10-11-27(4,5)30-25(34)16-8-9-22(36-6)29-14-16/h8-9,12-15,32-33H,7H2,1-6H3,(H,28,35)(H,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 393 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107608
(CHEMBL3600793)Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NCc1ccc(cc1)C(F)(F)F)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C28H30F3N3O4/c1-6-32-26(37)24-19(25(38-34-24)21-13-20(16(2)3)22(35)14-23(21)36)11-12-27(4,5)33-15-17-7-9-18(10-8-17)28(29,30)31/h7-10,13-14,16,33,35-36H,6,15H2,1-5H3,(H,32,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 446 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107612
(CHEMBL3600791)Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)N1CCOCC1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C25H32N4O6/c1-6-26-23(32)21-16(7-8-25(4,5)27-24(33)29-9-11-34-12-10-29)22(35-28-21)18-13-17(15(2)3)19(30)14-20(18)31/h13-15,30-31H,6,9-12H2,1-5H3,(H,26,32)(H,27,33) | 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 | 471 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107687
(CHEMBL3600509)Show SMILES CCNC(=O)c1noc(c1C#CCNC(=O)c1ccc2ccccc2c1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C29H27N3O5/c1-4-30-29(36)26-21(27(37-32-26)23-15-22(17(2)3)24(33)16-25(23)34)10-7-13-31-28(35)20-12-11-18-8-5-6-9-19(18)14-20/h5-6,8-9,11-12,14-17,33-34H,4,13H2,1-3H3,(H,30,36)(H,31,35) | 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 | 546 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107608
(CHEMBL3600793)Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NCc1ccc(cc1)C(F)(F)F)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C28H30F3N3O4/c1-6-32-26(37)24-19(25(38-34-24)21-13-20(16(2)3)22(35)14-23(21)36)11-12-27(4,5)33-15-17-7-9-18(10-8-17)28(29,30)31/h7-10,13-14,16,33,35-36H,6,15H2,1-5H3,(H,32,37) | 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 | 546 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107732
(CHEMBL3600434)Show SMILES CC(C)c1cc(-c2onc(C(N)=O)c2C#CCN2CCOCC2)c(O)cc1O Show InChI InChI=1S/C20H23N3O5/c1-12(2)14-10-15(17(25)11-16(14)24)19-13(18(20(21)26)22-28-19)4-3-5-23-6-8-27-9-7-23/h10-12,24-25H,5-9H2,1-2H3,(H2,21,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 636 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107729
(CHEMBL3600495)Show SMILES CCNC(=O)c1noc(c1C#Cc1ccc(cc1)C(C)(C)C)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C27H30N2O4/c1-7-28-26(32)24-19(13-10-17-8-11-18(12-9-17)27(4,5)6)25(33-29-24)21-14-20(16(2)3)22(30)15-23(21)31/h8-9,11-12,14-16,30-31H,7H2,1-6H3,(H,28,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 736 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107687
(CHEMBL3600509)Show SMILES CCNC(=O)c1noc(c1C#CCNC(=O)c1ccc2ccccc2c1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C29H27N3O5/c1-4-30-29(36)26-21(27(37-32-26)23-15-22(17(2)3)24(33)16-25(23)34)10-7-13-31-28(35)20-12-11-18-8-5-6-9-19(18)14-20/h5-6,8-9,11-12,14-17,33-34H,4,13H2,1-3H3,(H,30,36)(H,31,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107596
(CHEMBL3600794)Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)c1ccc(cc1)C(F)(F)F)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C28H28F3N3O5/c1-6-32-26(38)23-18(24(39-34-23)20-13-19(15(2)3)21(35)14-22(20)36)11-12-27(4,5)33-25(37)16-7-9-17(10-8-16)28(29,30)31/h7-10,13-15,35-36H,6H2,1-5H3,(H,32,38)(H,33,37) | 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 | 1.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50107686
(CHEMBL3600510)Show SMILES CCNC(=O)c1noc(c1C#CCNC(=O)c1cnc2ccccc2c1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C28H26N4O5/c1-4-29-28(36)25-19(26(37-32-25)21-13-20(16(2)3)23(33)14-24(21)34)9-7-11-30-27(35)18-12-17-8-5-6-10-22(17)31-15-18/h5-6,8,10,12-16,33-34H,4,11H2,1-3H3,(H,29,36)(H,30,35) | 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 | 1.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50107596
(CHEMBL3600794)Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)c1ccc(cc1)C(F)(F)F)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C28H28F3N3O5/c1-6-32-26(38)23-18(24(39-34-23)20-13-19(15(2)3)21(35)14-22(20)36)11-12-27(4,5)33-25(37)16-7-9-17(10-8-16)28(29,30)31/h7-10,13-15,35-36H,6H2,1-5H3,(H,32,38)(H,33,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chengdu University of TCM
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 25: 3129-34 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2 |
More data for this
Ligand-Target Pair | |
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