BindingDB logo
myBDB logout

Patent code US10336757

Compile Data Set for Download or QSAR
Found 25 hits of Enzyme Inhibition Constant Data   
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))
BDBM50180301
PNG
(2-FLUORO-8-[(6-IODO-1,3-BENZODIOXOL-5-YL)METHYL]-9...)
Show SMILES CC(C)NCCCn1c(Cc2cc3OCOc3cc2I)nc2c(N)nc(F)nc12
Show InChI InChI=1S/C19H22FIN6O2/c1-10(2)23-4-3-5-27-15(24-16-17(22)25-19(20)26-18(16)27)7-11-6-13-14(8-12(11)21)29-9-28-13/h6,8,10,23H,3-5,7,9H2,1-2H3,(H2,22,25,26)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

US Patent
n/an/an/an/a 60.7n/an/an/an/a



Sloan-Kettering Institute for Cancer Research

US Patent


Assay Description
The assay buffer (HFB) contained 20 mM HEPES (K) pH 7.3, 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% NP40. Before each use, 0.1 mg/mL bovine gamma gl...


US Patent US10336757 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VF6
More data for this
Ligand-Target Pair
Hsp90 co-chaperone


(Homo sapiens (Human))
BDBM406719
PNG
(US10336757, Compound PU-DZ17)
Show SMILES CC(C)N(C)CCn1c(Cc2cc3OCOc3cc2I)nc2c(N)nc(F)nc12
Show InChI InChI=1S/C19H22FIN6O2/c1-10(2)26(3)4-5-27-15(23-16-17(22)24-19(20)25-18(16)27)7-11-6-13-14(8-12(11)21)29-9-28-13/h6,8,10H,4-5,7,9H2,1-3H3,(H2,22,24,25)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 92.3n/an/an/an/a



Sloan-Kettering Institute for Cancer Research

US Patent


Assay Description
The assay buffer (HFB) contained 20 mM HEPES (K) pH 7.3, 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% NP40. Before each use, 0.1 mg/mL bovine gamma gl...


US Patent US10336757 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VF6
More data for this
Ligand-Target Pair
Hsp90 co-chaperone


(Homo sapiens (Human))
BDBM406705
PNG
(US10336757, Compound PU-BSI6)
Show SMILES CC(C)N(CCO)CCCn1c(Cc2cc3OCOc3cc2I)nc2c(N)nc(F)nc12
Show InChI InChI=1S/C21H26FIN6O3/c1-12(2)28(6-7-30)4-3-5-29-17(25-18-19(24)26-21(22)27-20(18)29)9-13-8-15-16(10-14(13)23)32-11-31-15/h8,10,12,30H,3-7,9,11H2,1-2H3,(H2,24,26,27)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 60.8n/an/an/an/a



Sloan-Kettering Institute for Cancer Research

US Patent


Assay Description
The assay buffer (HFB) contained 20 mM HEPES (K) pH 7.3, 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% NP40. Before each use, 0.1 mg/mL bovine gamma gl...


US Patent US10336757 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VF6
More data for this
Ligand-Target Pair
Hsp90 co-chaperone


(Homo sapiens (Human))
BDBM406702
PNG
(US10336757, Compound PU-HT78)
Show SMILES CC(C)NCCCn1c(Cc2cc3OCOc3cc2CC=C)nc2c(N)nc(F)nc12
Show InChI InChI=1S/C22H27FN6O2/c1-4-6-14-9-16-17(31-12-30-16)10-15(14)11-18-26-19-20(24)27-22(23)28-21(19)29(18)8-5-7-25-13(2)3/h4,9-10,13,25H,1,5-8,11-12H2,2-3H3,(H2,24,27,28)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 9.56E+3n/an/an/an/a



Sloan-Kettering Institute for Cancer Research

US Patent


Assay Description
The assay buffer (HFB) contained 20 mM HEPES (K) pH 7.3, 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% NP40. Before each use, 0.1 mg/mL bovine gamma gl...


US Patent US10336757 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VF6
More data for this
Ligand-Target Pair
Hsp90 co-chaperone


(Homo sapiens (Human))
BDBM50180306
PNG
(8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISO...)
Show SMILES CC(C)NCCCn1c(Sc2cc3OCOc3cc2Br)nc2c(N)ncnc12
Show InChI InChI=1S/C18H21BrN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

US Patent
n/an/an/an/a 122n/an/an/an/a



Sloan-Kettering Institute for Cancer Research

US Patent


Assay Description
The assay buffer (HFB) contained 20 mM HEPES (K) pH 7.3, 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% NP40. Before each use, 0.1 mg/mL bovine gamma gl...


US Patent US10336757 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VF6
More data for this
Ligand-Target Pair
Hsp90 co-chaperone


(Homo sapiens (Human))
BDBM406701
PNG
(US10336757, Compound PU-HT70)
Show SMILES CC(C)NCCCn1c(Cc2cc3OCOc3cc2C=C)nc2c(N)nc(F)nc12
Show InChI InChI=1S/C21H25FN6O2/c1-4-13-8-15-16(30-11-29-15)9-14(13)10-17-25-18-19(23)26-21(22)27-20(18)28(17)7-5-6-24-12(2)3/h4,8-9,12,24H,1,5-7,10-11H2,2-3H3,(H2,23,26,27)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 147n/an/an/an/a



Sloan-Kettering Institute for Cancer Research

US Patent


Assay Description
The assay buffer (HFB) contained 20 mM HEPES (K) pH 7.3, 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% NP40. Before each use, 0.1 mg/mL bovine gamma gl...


US Patent US10336757 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VF6
More data for this
Ligand-Target Pair
Hsp90 co-chaperone


(Homo sapiens (Human))
BDBM406710
PNG
(US10336757, Compound PU-BSI4)
Show SMILES C[N+](C)(C)CCCn1c(Cc2cc3OCOc3cc2I)nc2c(N)nc(F)nc12
Show InChI InChI=1S/C19H23FIN6O2/c1-27(2,3)6-4-5-26-15(23-16-17(22)24-19(20)25-18(16)26)8-11-7-13-14(9-12(11)21)29-10-28-13/h7,9H,4-6,8,10H2,1-3H3,(H2,22,24,25)/q+1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 95.3n/an/an/an/a



Sloan-Kettering Institute for Cancer Research

US Patent


Assay Description
The assay buffer (HFB) contained 20 mM HEPES (K) pH 7.3, 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% NP40. Before each use, 0.1 mg/mL bovine gamma gl...


US Patent US10336757 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VF6
More data for this
Ligand-Target Pair
Hsp90 co-chaperone


(Homo sapiens (Human))
BDBM406711
PNG
(US10336757, Compound PU-BSI10)
Show SMILES CC1CN1CCCn1c(Cc2cc3OCOc3cc2I)nc2c(N)nc(F)nc12
Show InChI InChI=1S/C19H20FIN6O2/c1-10-8-26(10)3-2-4-27-15(23-16-17(22)24-19(20)25-18(16)27)6-11-5-13-14(7-12(11)21)29-9-28-13/h5,7,10H,2-4,6,8-9H2,1H3,(H2,22,24,25)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 105n/an/an/an/a



Sloan-Kettering Institute for Cancer Research

US Patent


Assay Description
The assay buffer (HFB) contained 20 mM HEPES (K) pH 7.3, 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% NP40. Before each use, 0.1 mg/mL bovine gamma gl...


US Patent US10336757 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VF6
More data for this
Ligand-Target Pair
Hsp90 co-chaperone


(Homo sapiens (Human))
BDBM406713
PNG
(US10336757, Compound PU-BSI16)
Show SMILES Nc1nc(F)nc2n(CCCN3CCOCC3)c(Cc3cc4OCOc4cc3I)nc12
Show InChI InChI=1S/C20H22FIN6O3/c21-20-25-18(23)17-19(26-20)28(3-1-2-27-4-6-29-7-5-27)16(24-17)9-12-8-14-15(10-13(12)22)31-11-30-14/h8,10H,1-7,9,11H2,(H2,23,25,26)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 202n/an/an/an/a



Sloan-Kettering Institute for Cancer Research

US Patent


Assay Description
The assay buffer (HFB) contained 20 mM HEPES (K) pH 7.3, 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% NP40. Before each use, 0.1 mg/mL bovine gamma gl...


US Patent US10336757 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VF6
More data for this
Ligand-Target Pair
Hsp90 co-chaperone


(Homo sapiens (Human))
BDBM406718
PNG
(US10336757, Compound PU-DZ15)
Show SMILES CCN(C)CCn1c(Cc2cc3OCOc3cc2I)nc2c(N)nc(F)nc12
Show InChI InChI=1S/C18H20FIN6O2/c1-3-25(2)4-5-26-14(22-15-16(21)23-18(19)24-17(15)26)7-10-6-12-13(8-11(10)20)28-9-27-12/h6,8H,3-5,7,9H2,1-2H3,(H2,21,23,24)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 166n/an/an/an/a



Sloan-Kettering Institute for Cancer Research

US Patent


Assay Description
The assay buffer (HFB) contained 20 mM HEPES (K) pH 7.3, 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% NP40. Before each use, 0.1 mg/mL bovine gamma gl...


US Patent US10336757 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VF6
More data for this
Ligand-Target Pair
Hsp90 co-chaperone


(Homo sapiens (Human))
BDBM406720
PNG
(US10336757, Compound PU-DZ18)
Show SMILES CN(CCn1c(Cc2cc3OCOc3cc2I)nc2c(N)nc(F)nc12)CC#N
Show InChI InChI=1S/C18H17FIN7O2/c1-26(3-2-21)4-5-27-14(23-15-16(22)24-18(19)25-17(15)27)7-10-6-12-13(8-11(10)20)29-9-28-12/h6,8H,3-5,7,9H2,1H3,(H2,22,24,25)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 107n/an/an/an/a



Sloan-Kettering Institute for Cancer Research

US Patent


Assay Description
The assay buffer (HFB) contained 20 mM HEPES (K) pH 7.3, 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% NP40. Before each use, 0.1 mg/mL bovine gamma gl...


US Patent US10336757 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VF6
More data for this
Ligand-Target Pair
Hsp90 co-chaperone


(Homo sapiens (Human))
BDBM406700
PNG
(US10336757, Compound PU-DZ10)
Show SMILES CC(C)NCCCn1c(Cc2cc3OCOc3cc2Br)nc2c(N)nc(F)nc12
Show InChI InChI=1S/C19H22BrFN6O2/c1-10(2)23-4-3-5-27-15(24-16-17(22)25-19(21)26-18(16)27)7-11-6-13-14(8-12(11)20)29-9-28-13/h6,8,10,23H,3-5,7,9H2,1-2H3,(H2,22,25,26)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 193n/an/an/an/a



Sloan-Kettering Institute for Cancer Research

US Patent


Assay Description
The assay buffer (HFB) contained 20 mM HEPES (K) pH 7.3, 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% NP40. Before each use, 0.1 mg/mL bovine gamma gl...


US Patent US10336757 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VF6
More data for this
Ligand-Target Pair
Hsp90 co-chaperone


(Homo sapiens (Human))
BDBM406712
PNG
(US10336757, Compound PU-BSI3)
Show SMILES Nc1nc(F)nc2n(CCCN3CCN(CCO)CC3)c(Cc3cc4OCOc4cc3I)nc12
Show InChI InChI=1S/C22H27FIN7O3/c23-22-27-20(25)19-21(28-22)31(3-1-2-29-4-6-30(7-5-29)8-9-32)18(26-19)11-14-10-16-17(12-15(14)24)34-13-33-16/h10,12,32H,1-9,11,13H2,(H2,25,27,28)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 199n/an/an/an/a



Sloan-Kettering Institute for Cancer Research

US Patent


Assay Description
The assay buffer (HFB) contained 20 mM HEPES (K) pH 7.3, 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% NP40. Before each use, 0.1 mg/mL bovine gamma gl...


US Patent US10336757 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VF6
More data for this
Ligand-Target Pair
Hsp90 co-chaperone


(Homo sapiens (Human))
BDBM406715
PNG
(US10336757, Compound PU-DZ13)
Show SMILES CC(C)CNCCn1c(Cc2cc3OCOc3cc2I)nc2c(N)nc(F)nc12
Show InChI InChI=1S/C19H22FIN6O2/c1-10(2)8-23-3-4-27-15(24-16-17(22)25-19(20)26-18(16)27)6-11-5-13-14(7-12(11)21)29-9-28-13/h5,7,10,23H,3-4,6,8-9H2,1-2H3,(H2,22,25,26)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 19.6n/an/an/an/a



Sloan-Kettering Institute for Cancer Research

US Patent


Assay Description
The assay buffer (HFB) contained 20 mM HEPES (K) pH 7.3, 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% NP40. Before each use, 0.1 mg/mL bovine gamma gl...


US Patent US10336757 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VF6
More data for this
Ligand-Target Pair
Hsp90 co-chaperone


(Homo sapiens (Human))
BDBM406717
PNG
(US10336757, Compound PU-DZ16)
Show SMILES Nc1nc(F)nc2n(CCNCC3CC3)c(Cc3cc4OCOc4cc3I)nc12
Show InChI InChI=1S/C19H20FIN6O2/c20-19-25-17(22)16-18(26-19)27(4-3-23-8-10-1-2-10)15(24-16)6-11-5-13-14(7-12(11)21)29-9-28-13/h5,7,10,23H,1-4,6,8-9H2,(H2,22,25,26)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 35.6n/an/an/an/a



Sloan-Kettering Institute for Cancer Research

US Patent


Assay Description
The assay buffer (HFB) contained 20 mM HEPES (K) pH 7.3, 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% NP40. Before each use, 0.1 mg/mL bovine gamma gl...


US Patent US10336757 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VF6
More data for this
Ligand-Target Pair
Hsp90 co-chaperone


(Homo sapiens (Human))
BDBM50180302
PNG
(8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isop...)
Show SMILES CC(C)NCCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)ncnc12
Show InChI InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

US Patent
n/an/an/an/a 30.8n/an/an/an/a



Sloan-Kettering Institute for Cancer Research

US Patent


Assay Description
The assay buffer (HFB) contained 20 mM HEPES (K) pH 7.3, 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% NP40. Before each use, 0.1 mg/mL bovine gamma gl...


US Patent US10336757 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VF6
More data for this
Ligand-Target Pair
Hsp90 co-chaperone


(Homo sapiens (Human))
BDBM406697
PNG
(US10336757, Compound PU-HT65)
Show SMILES CC(C)NCCCn1c(Sc2cc3OCOc3cc2C=C)nc2c(N)ncnc12
Show InChI InChI=1S/C20H24N6O2S/c1-4-13-8-14-15(28-11-27-14)9-16(13)29-20-25-17-18(21)23-10-24-19(17)26(20)7-5-6-22-12(2)3/h4,8-10,12,22H,1,5-7,11H2,2-3H3,(H2,21,23,24)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 213n/an/an/an/a



Sloan-Kettering Institute for Cancer Research

US Patent


Assay Description
The assay buffer (HFB) contained 20 mM HEPES (K) pH 7.3, 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% NP40. Before each use, 0.1 mg/mL bovine gamma gl...


US Patent US10336757 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VF6
More data for this
Ligand-Target Pair
Hsp90 co-chaperone


(Homo sapiens (Human))
BDBM406704
PNG
(US10336757, Compound PU-BSI12)
Show SMILES CC(C)N(C)CCCn1c(Cc2cc3OCOc3cc2I)nc2c(N)nc(F)nc12
Show InChI InChI=1S/C20H24FIN6O2/c1-11(2)27(3)5-4-6-28-16(24-17-18(23)25-20(21)26-19(17)28)8-12-7-14-15(9-13(12)22)30-10-29-14/h7,9,11H,4-6,8,10H2,1-3H3,(H2,23,25,26)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 39.4n/an/an/an/a



Sloan-Kettering Institute for Cancer Research

US Patent


Assay Description
The assay buffer (HFB) contained 20 mM HEPES (K) pH 7.3, 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% NP40. Before each use, 0.1 mg/mL bovine gamma gl...


US Patent US10336757 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VF6
More data for this
Ligand-Target Pair
Hsp90 co-chaperone


(Homo sapiens (Human))
BDBM406707
PNG
(US10336757, Compound PU-BSI7)
Show SMILES CN(CCCn1c(Cc2cc3OCOc3cc2I)nc2c(N)nc(F)nc12)CC=C
Show InChI InChI=1S/C20H22FIN6O2/c1-3-5-27(2)6-4-7-28-16(24-17-18(23)25-20(21)26-19(17)28)9-12-8-14-15(10-13(12)22)30-11-29-14/h3,8,10H,1,4-7,9,11H2,2H3,(H2,23,25,26)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 44.5n/an/an/an/a



Sloan-Kettering Institute for Cancer Research

US Patent


Assay Description
The assay buffer (HFB) contained 20 mM HEPES (K) pH 7.3, 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% NP40. Before each use, 0.1 mg/mL bovine gamma gl...


US Patent US10336757 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VF6
More data for this
Ligand-Target Pair
Hsp90 co-chaperone


(Homo sapiens (Human))
BDBM406716
PNG
(US10336757, Compound PU-DZ14)
Show SMILES CC(C)(C)CNCCn1c(Cc2cc3OCOc3cc2I)nc2c(N)nc(F)nc12
Show InChI InChI=1S/C20H24FIN6O2/c1-20(2,3)9-24-4-5-28-15(25-16-17(23)26-19(21)27-18(16)28)7-11-6-13-14(8-12(11)22)30-10-29-13/h6,8,24H,4-5,7,9-10H2,1-3H3,(H2,23,26,27)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 23.5n/an/an/an/a



Sloan-Kettering Institute for Cancer Research

US Patent


Assay Description
The assay buffer (HFB) contained 20 mM HEPES (K) pH 7.3, 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% NP40. Before each use, 0.1 mg/mL bovine gamma gl...


US Patent US10336757 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VF6
More data for this
Ligand-Target Pair
Hsp90 co-chaperone


(Homo sapiens (Human))
BDBM406708
PNG
(US10336757, Compound PU-BSI14)
Show SMILES CCCN(CCCn1c(Cc2cc3OCOc3cc2I)nc2c(N)nc(F)nc12)C1CC1
Show InChI InChI=1S/C22H26FIN6O2/c1-2-6-29(14-4-5-14)7-3-8-30-18(26-19-20(25)27-22(23)28-21(19)30)10-13-9-16-17(11-15(13)24)32-12-31-16/h9,11,14H,2-8,10,12H2,1H3,(H2,25,27,28)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 42.8n/an/an/an/a



Sloan-Kettering Institute for Cancer Research

US Patent


Assay Description
The assay buffer (HFB) contained 20 mM HEPES (K) pH 7.3, 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% NP40. Before each use, 0.1 mg/mL bovine gamma gl...


US Patent US10336757 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VF6
More data for this
Ligand-Target Pair
Hsp90 co-chaperone


(Homo sapiens (Human))
BDBM406709
PNG
(US10336757, Compound PU-BSI15)
Show SMILES Nc1nc(F)nc2n(CCCN3CCCCC3)c(Cc3cc4OCOc4cc3I)nc12
Show InChI InChI=1S/C21H24FIN6O2/c22-21-26-19(24)18-20(27-21)29(8-4-7-28-5-2-1-3-6-28)17(25-18)10-13-9-15-16(11-14(13)23)31-12-30-15/h9,11H,1-8,10,12H2,(H2,24,26,27)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 68.2n/an/an/an/a



Sloan-Kettering Institute for Cancer Research

US Patent


Assay Description
The assay buffer (HFB) contained 20 mM HEPES (K) pH 7.3, 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% NP40. Before each use, 0.1 mg/mL bovine gamma gl...


US Patent US10336757 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VF6
More data for this
Ligand-Target Pair
Hsp90 co-chaperone


(Homo sapiens (Human))
BDBM406706
PNG
(US10336757, Compound PU-BSI11)
Show SMILES CN(CCCn1c(Cc2cc3OCOc3cc2I)nc2c(N)nc(F)nc12)CC#C
Show InChI InChI=1S/C20H20FIN6O2/c1-3-5-27(2)6-4-7-28-16(24-17-18(23)25-20(21)26-19(17)28)9-12-8-14-15(10-13(12)22)30-11-29-14/h1,8,10H,4-7,9,11H2,2H3,(H2,23,25,26)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 210n/an/an/an/a



Sloan-Kettering Institute for Cancer Research

US Patent


Assay Description
The assay buffer (HFB) contained 20 mM HEPES (K) pH 7.3, 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% NP40. Before each use, 0.1 mg/mL bovine gamma gl...


US Patent US10336757 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VF6
More data for this
Ligand-Target Pair
Hsp90 co-chaperone


(Homo sapiens (Human))
BDBM406714
PNG
(US10336757, Compound PU-DZ12)
Show SMILES CC(C)NCCn1c(Cc2cc3OCOc3cc2I)nc2c(N)nc(F)nc12
Show InChI InChI=1S/C18H20FIN6O2/c1-9(2)22-3-4-26-14(23-15-16(21)24-18(19)25-17(15)26)6-10-5-12-13(7-11(10)20)28-8-27-12/h5,7,9,22H,3-4,6,8H2,1-2H3,(H2,21,24,25)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 219n/an/an/an/a



Sloan-Kettering Institute for Cancer Research

US Patent


Assay Description
The assay buffer (HFB) contained 20 mM HEPES (K) pH 7.3, 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% NP40. Before each use, 0.1 mg/mL bovine gamma gl...


US Patent US10336757 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VF6
More data for this
Ligand-Target Pair
Hsp90 co-chaperone


(Homo sapiens (Human))
BDBM406703
PNG
(US10336757, Compound PU-HT133)
Show SMILES CCc1cc2OCOc2cc1Cc1nc2c(N)nc(F)nc2n1CCCNC(C)C
Show InChI InChI=1S/C21H27FN6O2/c1-4-13-8-15-16(30-11-29-15)9-14(13)10-17-25-18-19(23)26-21(22)27-20(18)28(17)7-5-6-24-12(2)3/h8-9,12,24H,4-7,10-11H2,1-3H3,(H2,23,26,27)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 813n/an/an/an/a



Sloan-Kettering Institute for Cancer Research

US Patent


Assay Description
The assay buffer (HFB) contained 20 mM HEPES (K) pH 7.3, 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% NP40. Before each use, 0.1 mg/mL bovine gamma gl...


US Patent US10336757 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VF6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%