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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Hsp90 co-chaperone' AND taxid = 9606   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Hsp90 co-chaperone


(Homo sapiens (Human))
BDBM279657
PNG
(US10035797, Compound 1 | US9630965, Compound 1)
Show SMILES Nc1nccc2n(CCCC#C)c(Sc3cc4OCOc4cc3Br)nc12
Show InChI InChI=1S/C18H15BrN4O2S/c1-2-3-4-7-23-12-5-6-21-17(20)16(12)22-18(23)26-15-9-14-13(8-11(15)19)24-10-25-14/h1,5-6,8-9H,3-4,7,10H2,(H2,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Curis, Inc.

US Patent


Assay Description
The Hsp90 chaperone assay was performed to measure the ability of HSP90 protein to refold the heat-denatured luciferase protein. HSP90 was first incu...


US Patent US9630965 (2017)

More data for this
Ligand-Target Pair
Hsp90 co-chaperone


(Homo sapiens (Human))
BDBM279658
PNG
(US10035797, Compound 2 | US9630965, Compound 2)
Show SMILES Nc1nccc2n(CCCC#C)c(Sc3cc4OCOc4cc3Cl)nc12
Show InChI InChI=1S/C18H15ClN4O2S/c1-2-3-4-7-23-12-5-6-21-17(20)16(12)22-18(23)26-15-9-14-13(8-11(15)19)24-10-25-14/h1,5-6,8-9H,3-4,7,10H2,(H2,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Curis, Inc.

US Patent


Assay Description
The Hsp90 chaperone assay was performed to measure the ability of HSP90 protein to refold the heat-denatured luciferase protein. HSP90 was first incu...


US Patent US9630965 (2017)

More data for this
Ligand-Target Pair
Hsp90 co-chaperone


(Homo sapiens (Human))
BDBM279664
PNG
(US10035797, Compound 3 | US9630965, Compound 3)
Show SMILES Nc1nccc2n(CCCC#C)c(Sc3cc4OCOc4cc3I)nc12
Show InChI InChI=1S/C18H15IN4O2S/c1-2-3-4-7-23-12-5-6-21-17(20)16(12)22-18(23)26-15-9-14-13(8-11(15)19)24-10-25-14/h1,5-6,8-9H,3-4,7,10H2,(H2,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Curis, Inc.

US Patent


Assay Description
The Hsp90 chaperone assay was performed to measure the ability of HSP90 protein to refold the heat-denatured luciferase protein. HSP90 was first incu...


US Patent US9630965 (2017)

More data for this
Ligand-Target Pair
Hsp90 co-chaperone


(Homo sapiens (Human))
BDBM279695
PNG
(US10035797, Compound 34 | US10035797, Compound 37 ...)
Show SMILES CC(C)(C)CNCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)nccc12
Show InChI InChI=1S/C20H24IN5O2S/c1-20(2,3)10-23-6-7-26-13-4-5-24-18(22)17(13)25-19(26)29-16-9-15-14(8-12(16)21)27-11-28-15/h4-5,8-9,23H,6-7,10-11H2,1-3H3,(H2,22,24)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Curis, Inc.

US Patent


Assay Description
The Hsp90 chaperone assay was performed to measure the ability of HSP90 protein to refold the heat-denatured luciferase protein. HSP90 was first incu...


US Patent US9630965 (2017)

More data for this
Ligand-Target Pair
Hsp90 co-chaperone


(Homo sapiens (Human))
BDBM279673
PNG
(US10035797, Compound 12 | US9630965, Compound 12)
Show SMILES COc1ccc(I)c(Sc2nc3c(N)nccc3n2CCCC#C)c1
Show InChI InChI=1S/C18H17IN4OS/c1-3-4-5-10-23-14-8-9-21-17(20)16(14)22-18(23)25-15-11-12(24-2)6-7-13(15)19/h1,6-9,11H,4-5,10H2,2H3,(H2,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



Curis, Inc.

US Patent


Assay Description
The Hsp90 chaperone assay was performed to measure the ability of HSP90 protein to refold the heat-denatured luciferase protein. HSP90 was first incu...


US Patent US9630965 (2017)

More data for this
Ligand-Target Pair
Hsp90 co-chaperone


(Homo sapiens (Human))
BDBM279682
PNG
(US10035797, Compound 19 | US9630965, Compound 19)
Show SMILES COc1ccc(C(C)=O)c(Sc2nc3c(N)nccc3n2CCCC#C)c1
Show InChI InChI=1S/C20H20N4O2S/c1-4-5-6-11-24-16-9-10-22-19(21)18(16)23-20(24)27-17-12-14(26-3)7-8-15(17)13(2)25/h1,7-10,12H,5-6,11H2,2-3H3,(H2,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



Curis, Inc.

US Patent


Assay Description
The Hsp90 chaperone assay was performed to measure the ability of HSP90 protein to refold the heat-denatured luciferase protein. HSP90 was first incu...


US Patent US9630965 (2017)

More data for this
Ligand-Target Pair
Hsp90 co-chaperone


(Homo sapiens (Human))
BDBM279675
PNG
(US10035797, Compound 13 | US9630965, Compound 13)
Show SMILES COc1ccc(Br)c(Sc2nc3c(N)nccc3n2CCCC#C)c1
Show InChI InChI=1S/C18H17BrN4OS/c1-3-4-5-10-23-14-8-9-21-17(20)16(14)22-18(23)25-15-11-12(24-2)6-7-13(15)19/h1,6-9,11H,4-5,10H2,2H3,(H2,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



Curis, Inc.

US Patent


Assay Description
The Hsp90 chaperone assay was performed to measure the ability of HSP90 protein to refold the heat-denatured luciferase protein. HSP90 was first incu...


US Patent US9630965 (2017)

More data for this
Ligand-Target Pair
Hsp90 co-chaperone


(Homo sapiens (Human))
BDBM279676
PNG
(US10035797, Compound 14 | US9630965, Compound 14)
Show SMILES COc1ccc(Cl)c(Sc2nc3c(N)nccc3n2CCCC#C)c1
Show InChI InChI=1S/C18H17ClN4OS/c1-3-4-5-10-23-14-8-9-21-17(20)16(14)22-18(23)25-15-11-12(24-2)6-7-13(15)19/h1,6-9,11H,4-5,10H2,2H3,(H2,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



Curis, Inc.

US Patent


Assay Description
The Hsp90 chaperone assay was performed to measure the ability of HSP90 protein to refold the heat-denatured luciferase protein. HSP90 was first incu...


US Patent US9630965 (2017)

More data for this
Ligand-Target Pair
Hsp90 co-chaperone


(Homo sapiens (Human))
BDBM279680
PNG
(US10035797, Compound 17 | US9630965, Compound 17)
Show SMILES COc1ccc(c(Sc2nc3c(N)nccc3n2CCCC#C)c1)[N+]([O-])=O
Show InChI InChI=1S/C18H17N5O3S/c1-3-4-5-10-22-14-8-9-20-17(19)16(14)21-18(22)27-15-11-12(26-2)6-7-13(15)23(24)25/h1,6-9,11H,4-5,10H2,2H3,(H2,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Curis, Inc.

US Patent


Assay Description
The Hsp90 chaperone assay was performed to measure the ability of HSP90 protein to refold the heat-denatured luciferase protein. HSP90 was first incu...


US Patent US9630965 (2017)

More data for this
Ligand-Target Pair
Hsp90 co-chaperone


(Homo sapiens (Human))
BDBM279672
PNG
(US10035797, Compound 11 | US9630965, Compound 11)
Show SMILES COc1cccc(Sc2nc3c(N)nccc3n2CCCC#C)c1
Show InChI InChI=1S/C18H18N4OS/c1-3-4-5-11-22-15-9-10-20-17(19)16(15)21-18(22)24-14-8-6-7-13(12-14)23-2/h1,6-10,12H,4-5,11H2,2H3,(H2,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Curis, Inc.

US Patent


Assay Description
The Hsp90 chaperone assay was performed to measure the ability of HSP90 protein to refold the heat-denatured luciferase protein. HSP90 was first incu...


US Patent US9630965 (2017)

More data for this
Ligand-Target Pair