BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 74 hits from Chengdu University of TCM   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM50107721
PNG
(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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 28n/an/an/an/an/an/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
PNG
(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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/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
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50107725
PNG
(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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 35n/an/an/an/an/an/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
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/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
PNG
(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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 45n/an/an/an/an/an/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
PNG
(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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 45n/an/an/an/an/an/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
PNG
(CHEMBL3600501)
Show SMILES CCNC(=O)c1noc(c1C#CCN1CCC(CC1)=NOC)-c1cc(C(C)C)c(O)cc1O
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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 48n/an/an/an/an/an/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
PNG
(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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/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
PNG
(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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 54n/an/an/an/an/an/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
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 57n/an/an/an/an/an/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
PNG
(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
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 59n/an/an/an/an/an/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
3D Structure (crystal)
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM50107589
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 66n/an/an/an/an/an/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
PNG
(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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 66n/an/an/an/an/an/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
PNG
(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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 66n/an/an/an/an/an/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
PNG
(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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 66n/an/an/an/an/an/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
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50107615
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 68n/an/an/an/an/an/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
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 69n/an/an/an/an/an/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
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50107589
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 73n/an/an/an/an/an/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
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50107679
PNG
(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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 76n/an/an/an/an/an/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
PNG
(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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 78n/an/an/an/an/an/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
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50107724
PNG
(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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 83n/an/an/an/an/an/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
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM20926
PNG
(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
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 85n/an/an/an/an/an/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
3D Structure (crystal)
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50107721
PNG
(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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 87n/an/an/an/an/an/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
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50107719
PNG
(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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 87n/an/an/an/an/an/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
PNG
(CHEMBL3600502)
Show SMILES CCNC(=O)c1noc(c1C#CCN1C[C@H](C)O[C@H](C)C1)-c1cc(C(C)C)c(O)cc1O
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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 91n/an/an/an/an/an/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))
BDBM50107616
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 99n/an/an/an/an/an/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
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50107726
PNG
(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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 99n/an/an/an/an/an/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
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50107684
PNG
(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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 101n/an/an/an/an/an/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
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50107675
PNG
(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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 108n/an/an/an/an/an/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))
BDBM50107731
PNG
(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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 108n/an/an/an/an/an/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))
BDBM50107610
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 108n/an/an/an/an/an/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
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50107610
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 111n/an/an/an/an/an/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
PNG
(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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 114n/an/an/an/an/an/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
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50107720
PNG
(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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 114n/an/an/an/an/an/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
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50107618
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 116n/an/an/an/an/an/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
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50107592
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 120n/an/an/an/an/an/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
PNG
(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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 120n/an/an/an/an/an/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
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 121n/an/an/an/an/an/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
PNG
(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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 125n/an/an/an/an/an/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
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50107612
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 126n/an/an/an/an/an/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
PNG
(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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 127n/an/an/an/an/an/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
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50107730
PNG
(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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 133n/an/an/an/an/an/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
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50107722
PNG
(CHEMBL3600502)
Show SMILES CCNC(=O)c1noc(c1C#CCN1C[C@H](C)O[C@H](C)C1)-c1cc(C(C)C)c(O)cc1O
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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 135n/an/an/an/an/an/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
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50107727
PNG
(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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 141n/an/an/an/an/an/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
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50107723
PNG
(CHEMBL3600501)
Show SMILES CCNC(=O)c1noc(c1C#CCN1CCC(CC1)=NOC)-c1cc(C(C)C)c(O)cc1O
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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 142n/an/an/an/an/an/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
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50107593
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 143n/an/an/an/an/an/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
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50107728
PNG
(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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 144n/an/an/an/an/an/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
PNG
(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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 144n/an/an/an/an/an/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
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50107690
PNG
(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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 146n/an/an/an/an/an/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
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50107694
PNG
(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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 149n/an/an/an/an/an/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
Displayed 1 to 50 (of 74 total )  |  Next  |  Last  >>
Jump to: