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Compile Data Set for Download or QSAR

Found 21 hits with Last Name = 'young' and Initial = 'zt'   
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
Heat shock cognate 71 kDa protein


(Homo sapiens (Human))
BDBM50443566
PNG
(CHEMBL3091931)
Show SMILES CCn1c(=O)c(sc1=Cc1cccc[n+]1CCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)=C1Sc2cc(ccc2N1C)C(F)(F)F |r,w:37.41,8.9|
Show InChI InChI=1S/C36H43F3N6O3S3/c1-3-45-30(51-32(33(45)47)34-43(2)26-16-15-23(36(37,38)39)20-28(26)50-34)21-24-12-8-11-19-44(24)18-10-5-4-9-17-40-29(46)14-7-6-13-27-31-25(22-49-27)41-35(48)42-31/h8,11-12,15-16,19-21,25,27,31H,3-7,9-10,13-14,17-18,22H2,1-2H3,(H2-,40,41,42,46,48)/p+1/t25-,27-,31-/m0/s1
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n/an/an/a 1.00E+3n/an/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to human HSC70 after 3 hrs by ELISA


ACS Med Chem Lett 4: (2013)


Article DOI: 10.1021/ml400204n
BindingDB Entry DOI: 10.7270/Q2Q81FHC
More data for this
Ligand-Target Pair
Heat shock cognate 71 kDa protein


(Homo sapiens (Human))
BDBM50281174
PNG
(CHEMBL4168736)
Show SMILES [Cl-].CCn1\c(=C\c2scc[n+]2Cc2ccc(o2)C(F)(F)F)s\c(=C2\Sc3cc(Br)ccc3N2C)c1=O
Show InChI InChI=1S/C23H18BrF3N3O2S3/c1-3-30-19(11-18-29(8-9-33-18)12-14-5-7-17(32-14)23(25,26)27)35-20(21(30)31)22-28(2)15-6-4-13(24)10-16(15)34-22/h4-11H,3,12H2,1-2H3/q+1/b22-20+
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n/an/an/a 5.54E+3n/an/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to human HSC70 Y149W mutant after 2 hrs by fluorescence shift assay


J Med Chem 61: 6163-6177 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00583
BindingDB Entry DOI: 10.7270/Q27P91XM
More data for this
Ligand-Target Pair
Heat shock cognate 71 kDa protein


(Homo sapiens (Human))
BDBM50443568
PNG
(CHEMBL3091929)
Show SMILES CCn1c(=O)c(sc1=Cc1cccc[n+]1CCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)=C1Sc2ccc(cc2N1C)C(C)(F)F |r,w:37.41,8.9|
Show InChI InChI=1S/C37H46F2N6O3S3/c1-4-45-31(51-33(34(45)47)35-43(3)27-21-24(37(2,38)39)16-17-28(27)50-35)22-25-13-9-12-20-44(25)19-11-6-5-10-18-40-30(46)15-8-7-14-29-32-26(23-49-29)41-36(48)42-32/h9,12-13,16-17,20-22,26,29,32H,4-8,10-11,14-15,18-19,23H2,1-3H3,(H2-,40,41,42,46,48)/p+1/t26-,29-,32-/m0/s1
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n/an/an/a 400n/an/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to human HSC70 after 3 hrs by ELISA


ACS Med Chem Lett 4: (2013)


Article DOI: 10.1021/ml400204n
BindingDB Entry DOI: 10.7270/Q2Q81FHC
More data for this
Ligand-Target Pair
Heat shock cognate 71 kDa protein


(Homo sapiens (Human))
BDBM50443569
PNG
(CHEMBL3091928)
Show SMILES CCn1c(=O)c(sc1=Cc1cccc[n+]1CCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)=C1Sc2ccc(OC)cc2N1C |r,w:37.41,8.9|
Show InChI InChI=1S/C36H46N6O4S3/c1-4-42-31(49-33(34(42)44)35-40(2)27-22-25(46-3)16-17-28(27)48-35)21-24-13-9-12-20-41(24)19-11-6-5-10-18-37-30(43)15-8-7-14-29-32-26(23-47-29)38-36(45)39-32/h9,12-13,16-17,20-22,26,29,32H,4-8,10-11,14-15,18-19,23H2,1-3H3,(H2-,37,38,39,43,45)/p+1/t26-,29-,32-/m0/s1
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n/an/an/a 900n/an/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to human HSC70 after 3 hrs by ELISA


ACS Med Chem Lett 4: (2013)


Article DOI: 10.1021/ml400204n
BindingDB Entry DOI: 10.7270/Q2Q81FHC
More data for this
Ligand-Target Pair
Heat shock cognate 71 kDa protein


(Homo sapiens (Human))
BDBM50443570
PNG
(CHEMBL3091927)
Show SMILES CCn1c(=O)c(sc1=Cc1cccc[n+]1CCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)=C1Sc2c(cccc2Cl)N1C |r,w:37.41,8.9|
Show InChI InChI=1S/C35H43ClN6O3S3/c1-3-42-29(47-32(33(42)44)34-40(2)26-15-12-14-24(36)31(26)48-34)21-23-13-8-11-20-41(23)19-10-5-4-9-18-37-28(43)17-7-6-16-27-30-25(22-46-27)38-35(45)39-30/h8,11-15,20-21,25,27,30H,3-7,9-10,16-19,22H2,1-2H3,(H2-,37,38,39,43,45)/p+1/t25-,27-,30-/m0/s1
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n/an/an/a 2.60E+3n/an/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to human HSC70 after 3 hrs by ELISA


ACS Med Chem Lett 4: (2013)


Article DOI: 10.1021/ml400204n
BindingDB Entry DOI: 10.7270/Q2Q81FHC
More data for this
Ligand-Target Pair
Heat shock cognate 71 kDa protein


(Homo sapiens (Human))
BDBM50443571
PNG
(CHEMBL3091926)
Show SMILES CCn1c(=O)c(sc1=Cc1cccc[n+]1CCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)=C1Sc2cc(Cl)ccc2N1C |r,w:37.41,8.9|
Show InChI InChI=1S/C35H43ClN6O3S3/c1-3-42-30(48-32(33(42)44)34-40(2)26-16-15-23(36)20-28(26)47-34)21-24-12-8-11-19-41(24)18-10-5-4-9-17-37-29(43)14-7-6-13-27-31-25(22-46-27)38-35(45)39-31/h8,11-12,15-16,19-21,25,27,31H,3-7,9-10,13-14,17-18,22H2,1-2H3,(H2-,37,38,39,43,45)/p+1/t25-,27-,31-/m0/s1
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n/an/an/a 1.70E+3n/an/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to human HSC70 after 3 hrs by ELISA


ACS Med Chem Lett 4: (2013)


Article DOI: 10.1021/ml400204n
BindingDB Entry DOI: 10.7270/Q2Q81FHC
More data for this
Ligand-Target Pair
Heat shock cognate 71 kDa protein


(Homo sapiens (Human))
BDBM50443572
PNG
(CHEMBL3091728)
Show SMILES CCn1c(=O)c(sc1=Cc1cccc[n+]1CCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)=C1Sc2ccc(Cl)cc2N1C |r,w:37.41,8.9|
Show InChI InChI=1S/C35H43ClN6O3S3/c1-3-42-30(48-32(33(42)44)34-40(2)26-20-23(36)15-16-27(26)47-34)21-24-12-8-11-19-41(24)18-10-5-4-9-17-37-29(43)14-7-6-13-28-31-25(22-46-28)38-35(45)39-31/h8,11-12,15-16,19-21,25,28,31H,3-7,9-10,13-14,17-18,22H2,1-2H3,(H2-,37,38,39,43,45)/p+1/t25-,28-,31-/m0/s1
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n/an/an/a 4.00E+3n/an/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to human HSC70 after 3 hrs by ELISA


ACS Med Chem Lett 4: (2013)


Article DOI: 10.1021/ml400204n
BindingDB Entry DOI: 10.7270/Q2Q81FHC
More data for this
Ligand-Target Pair
Heat shock cognate 71 kDa protein


(Homo sapiens (Human))
BDBM50443573
PNG
(CHEMBL3091727)
Show SMILES CCn1c(=O)c(sc1=Cc1cccc[n+]1CCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)=C1Sc2cccc(Cl)c2N1C |r,w:37.41,8.9|
Show InChI InChI=1S/C35H43ClN6O3S3/c1-3-42-29(48-32(33(42)44)34-40(2)31-24(36)14-12-16-27(31)47-34)21-23-13-8-11-20-41(23)19-10-5-4-9-18-37-28(43)17-7-6-15-26-30-25(22-46-26)38-35(45)39-30/h8,11-14,16,20-21,25-26,30H,3-7,9-10,15,17-19,22H2,1-2H3,(H2-,37,38,39,43,45)/p+1/t25-,26-,30-/m0/s1
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n/an/an/a 7.70E+3n/an/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to human HSC70 after 3 hrs by ELISA


ACS Med Chem Lett 4: (2013)


Article DOI: 10.1021/ml400204n
BindingDB Entry DOI: 10.7270/Q2Q81FHC
More data for this
Ligand-Target Pair
Heat shock cognate 71 kDa protein


(Homo sapiens (Human))
BDBM50443574
PNG
(CHEMBL3091726)
Show SMILES CCn1c(=O)c(sc1=Cc1cccc[n+]1CCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)=C1Sc2c(cccc2F)N1C |r,w:37.41,8.9|
Show InChI InChI=1S/C35H43FN6O3S3/c1-3-42-29(47-32(33(42)44)34-40(2)26-15-12-14-24(36)31(26)48-34)21-23-13-8-11-20-41(23)19-10-5-4-9-18-37-28(43)17-7-6-16-27-30-25(22-46-27)38-35(45)39-30/h8,11-15,20-21,25,27,30H,3-7,9-10,16-19,22H2,1-2H3,(H2-,37,38,39,43,45)/p+1/t25-,27-,30-/m0/s1
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n/an/an/a 1.90E+3n/an/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to human HSC70 after 3 hrs by ELISA


ACS Med Chem Lett 4: (2013)


Article DOI: 10.1021/ml400204n
BindingDB Entry DOI: 10.7270/Q2Q81FHC
More data for this
Ligand-Target Pair
Heat shock cognate 71 kDa protein


(Homo sapiens (Human))
BDBM50443575
PNG
(CHEMBL3091944)
Show SMILES CCn1c(=O)c(sc1=Cc1cccc[n+]1CCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)=C1Sc2cc(F)ccc2N1C |r,w:37.41,8.9|
Show InChI InChI=1S/C35H43FN6O3S3/c1-3-42-30(48-32(33(42)44)34-40(2)26-16-15-23(36)20-28(26)47-34)21-24-12-8-11-19-41(24)18-10-5-4-9-17-37-29(43)14-7-6-13-27-31-25(22-46-27)38-35(45)39-31/h8,11-12,15-16,19-21,25,27,31H,3-7,9-10,13-14,17-18,22H2,1-2H3,(H2-,37,38,39,43,45)/p+1/t25-,27-,31-/m0/s1
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n/an/an/a 1.50E+3n/an/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to human HSC70 after 3 hrs by ELISA


ACS Med Chem Lett 4: (2013)


Article DOI: 10.1021/ml400204n
BindingDB Entry DOI: 10.7270/Q2Q81FHC
More data for this
Ligand-Target Pair
Heat shock cognate 71 kDa protein


(Homo sapiens (Human))
BDBM50443576
PNG
(CHEMBL3091943)
Show SMILES CCn1c(=O)c(sc1=Cc1cccc[n+]1CCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)=C1Sc2ccc(F)cc2N1C |r,w:37.41,8.9|
Show InChI InChI=1S/C35H43FN6O3S3/c1-3-42-30(48-32(33(42)44)34-40(2)26-20-23(36)15-16-27(26)47-34)21-24-12-8-11-19-41(24)18-10-5-4-9-17-37-29(43)14-7-6-13-28-31-25(22-46-28)38-35(45)39-31/h8,11-12,15-16,19-21,25,28,31H,3-7,9-10,13-14,17-18,22H2,1-2H3,(H2-,37,38,39,43,45)/p+1/t25-,28-,31-/m0/s1
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n/an/an/a 2.30E+3n/an/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to human HSC70 after 3 hrs by ELISA


ACS Med Chem Lett 4: (2013)


Article DOI: 10.1021/ml400204n
BindingDB Entry DOI: 10.7270/Q2Q81FHC
More data for this
Ligand-Target Pair
Heat shock cognate 71 kDa protein


(Homo sapiens (Human))
BDBM50443577
PNG
(CHEMBL3091942)
Show SMILES CCn1c(=O)c(sc1=Cc1cccc[n+]1CCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)=C1Sc2cccc(F)c2N1C |r,w:37.41,8.9|
Show InChI InChI=1S/C35H43FN6O3S3/c1-3-42-29(48-32(33(42)44)34-40(2)31-24(36)14-12-16-27(31)47-34)21-23-13-8-11-20-41(23)19-10-5-4-9-18-37-28(43)17-7-6-15-26-30-25(22-46-26)38-35(45)39-30/h8,11-14,16,20-21,25-26,30H,3-7,9-10,15,17-19,22H2,1-2H3,(H2-,37,38,39,43,45)/p+1/t25-,26-,30-/m0/s1
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n/an/an/a 1.09E+4n/an/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to human HSC70 after 3 hrs by ELISA


ACS Med Chem Lett 4: (2013)


Article DOI: 10.1021/ml400204n
BindingDB Entry DOI: 10.7270/Q2Q81FHC
More data for this
Ligand-Target Pair
Heat shock cognate 71 kDa protein


(Homo sapiens (Human))
BDBM50443578
PNG
(CHEMBL3091941)
Show SMILES CCn1c(=Cc2cccc[n+]2CCCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)sc(=C2Sc3ccccc3N2C)c1=O |r,w:35.38,4.4|
Show InChI InChI=1S/C35H44N6O3S3/c1-3-41-30(47-32(33(41)43)34-39(2)26-15-6-7-16-27(26)46-34)22-24-14-10-13-21-40(24)20-12-5-4-11-19-36-29(42)18-9-8-17-28-31-25(23-45-28)37-35(44)38-31/h6-7,10,13-16,21-22,25,28,31H,3-5,8-9,11-12,17-20,23H2,1-2H3,(H2-,36,37,38,42,44)/p+1/t25-,28-,31-/m0/s1
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n/an/an/a 2.00E+3n/an/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to human HSC70 after 3 hrs by ELISA


ACS Med Chem Lett 4: (2013)


Article DOI: 10.1021/ml400204n
BindingDB Entry DOI: 10.7270/Q2Q81FHC
More data for this
Ligand-Target Pair
Heat shock cognate 71 kDa protein


(Homo sapiens (Human))
BDBM50443579
PNG
(CHEMBL3091725)
Show SMILES CCn1c(=O)c(sc1=Cc1scc[n+]1Cc1ccc(CNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cc1)=C1Sc2cccc(F)c2N1C |r,w:38.43,8.9|
Show InChI InChI=1S/C35H37FN6O3S4/c1-3-42-29(49-32(33(42)44)34-40(2)31-23(36)7-6-9-26(31)48-34)17-28-41(15-16-46-28)19-22-13-11-21(12-14-22)18-37-27(43)10-5-4-8-25-30-24(20-47-25)38-35(45)39-30/h6-7,9,11-17,24-25,30H,3-5,8,10,18-20H2,1-2H3,(H2-,37,38,39,43,45)/p+1/t24-,25-,30-/m0/s1
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n/an/an/a 2.40E+3n/an/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to human HSC70 after 3 hrs by ELISA


ACS Med Chem Lett 4: (2013)


Article DOI: 10.1021/ml400204n
BindingDB Entry DOI: 10.7270/Q2Q81FHC
More data for this
Ligand-Target Pair
Heat shock cognate 71 kDa protein


(Homo sapiens (Human))
BDBM50281174
PNG
(CHEMBL4168736)
Show SMILES [Cl-].CCn1\c(=C\c2scc[n+]2Cc2ccc(o2)C(F)(F)F)s\c(=C2\Sc3cc(Br)ccc3N2C)c1=O
Show InChI InChI=1S/C23H18BrF3N3O2S3/c1-3-30-19(11-18-29(8-9-33-18)12-14-5-7-17(32-14)23(25,26)27)35-20(21(30)31)22-28(2)15-6-4-13(24)10-16(15)34-22/h4-11H,3,12H2,1-2H3/q+1/b22-20+
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n/an/an/a 660n/an/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to human HSC70 after 2 hrs by fluorescence shift assay


J Med Chem 61: 6163-6177 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00583
BindingDB Entry DOI: 10.7270/Q27P91XM
More data for this
Ligand-Target Pair
Heat shock cognate 71 kDa protein


(Homo sapiens (Human))
BDBM50281175
PNG
(CHEMBL4165078)
Show SMILES [Cl-].CCn1\c(=C\c2scc[n+]2Cc2ccccc2)s\c(=C2\SCCN2C)c1=O
Show InChI InChI=1S/C20H22N3OS3/c1-3-23-17(27-18(19(23)24)20-21(2)9-11-26-20)13-16-22(10-12-25-16)14-15-7-5-4-6-8-15/h4-8,10,12-13H,3,9,11,14H2,1-2H3/q+1/b20-18+
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n/an/an/a>1.00E+4n/an/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to human HSC70 after 2 hrs by fluorescence shift assay


J Med Chem 61: 6163-6177 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00583
BindingDB Entry DOI: 10.7270/Q27P91XM
More data for this
Ligand-Target Pair
Heat shock cognate 71 kDa protein


(Homo sapiens (Human))
BDBM50281174
PNG
(CHEMBL4168736)
Show SMILES [Cl-].CCn1\c(=C\c2scc[n+]2Cc2ccc(o2)C(F)(F)F)s\c(=C2\Sc3cc(Br)ccc3N2C)c1=O
Show InChI InChI=1S/C23H18BrF3N3O2S3/c1-3-30-19(11-18-29(8-9-33-18)12-14-5-7-17(32-14)23(25,26)27)35-20(21(30)31)22-28(2)15-6-4-13(24)10-16(15)34-22/h4-11H,3,12H2,1-2H3/q+1/b22-20+
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n/an/an/a 2.38E+3n/an/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to human HSC70 Y149A mutant after 2 hrs by fluorescence shift assay


J Med Chem 61: 6163-6177 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00583
BindingDB Entry DOI: 10.7270/Q27P91XM
More data for this
Ligand-Target Pair
Heat shock cognate 71 kDa protein


(Homo sapiens (Human))
BDBM50281174
PNG
(CHEMBL4168736)
Show SMILES [Cl-].CCn1\c(=C\c2scc[n+]2Cc2ccc(o2)C(F)(F)F)s\c(=C2\Sc3cc(Br)ccc3N2C)c1=O
Show InChI InChI=1S/C23H18BrF3N3O2S3/c1-3-30-19(11-18-29(8-9-33-18)12-14-5-7-17(32-14)23(25,26)27)35-20(21(30)31)22-28(2)15-6-4-13(24)10-16(15)34-22/h4-11H,3,12H2,1-2H3/q+1/b22-20+
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n/an/an/a 8.25E+3n/an/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to human HSC70 T222A mutant after 2 hrs by fluorescence shift assay


J Med Chem 61: 6163-6177 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00583
BindingDB Entry DOI: 10.7270/Q27P91XM
More data for this
Ligand-Target Pair
Heat shock cognate 71 kDa protein


(Homo sapiens (Human))
BDBM50281174
PNG
(CHEMBL4168736)
Show SMILES [Cl-].CCn1\c(=C\c2scc[n+]2Cc2ccc(o2)C(F)(F)F)s\c(=C2\Sc3cc(Br)ccc3N2C)c1=O
Show InChI InChI=1S/C23H18BrF3N3O2S3/c1-3-30-19(11-18-29(8-9-33-18)12-14-5-7-17(32-14)23(25,26)27)35-20(21(30)31)22-28(2)15-6-4-13(24)10-16(15)34-22/h4-11H,3,12H2,1-2H3/q+1/b22-20+
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n/an/an/a 1.38E+4n/an/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to human HSC70 L228A mutant after 2 hrs by fluorescence shift assay


J Med Chem 61: 6163-6177 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00583
BindingDB Entry DOI: 10.7270/Q27P91XM
More data for this
Ligand-Target Pair
Heat shock cognate 71 kDa protein


(Homo sapiens (Human))
BDBM50281174
PNG
(CHEMBL4168736)
Show SMILES [Cl-].CCn1\c(=C\c2scc[n+]2Cc2ccc(o2)C(F)(F)F)s\c(=C2\Sc3cc(Br)ccc3N2C)c1=O
Show InChI InChI=1S/C23H18BrF3N3O2S3/c1-3-30-19(11-18-29(8-9-33-18)12-14-5-7-17(32-14)23(25,26)27)35-20(21(30)31)22-28(2)15-6-4-13(24)10-16(15)34-22/h4-11H,3,12H2,1-2H3/q+1/b22-20+
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n/an/an/a 2.43E+4n/an/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to human HSC70 H227A mutant after 2 hrs by fluorescence shift assay


J Med Chem 61: 6163-6177 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00583
BindingDB Entry DOI: 10.7270/Q27P91XM
More data for this
Ligand-Target Pair
Heat shock cognate 71 kDa protein


(Homo sapiens (Human))
BDBM50443567
PNG
(CHEMBL3091930)
Show SMILES CCn1c(=O)c(sc1=Cc1cccc[n+]1CCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)=C1Sc2cc(OC)ccc2N1C |r,w:37.41,8.9|
Show InChI InChI=1S/C36H46N6O4S3/c1-4-42-31(49-33(34(42)44)35-40(2)27-17-16-25(46-3)22-29(27)48-35)21-24-13-9-12-20-41(24)19-11-6-5-10-18-37-30(43)15-8-7-14-28-32-26(23-47-28)38-36(45)39-32/h9,12-13,16-17,20-22,26,28,32H,4-8,10-11,14-15,18-19,23H2,1-3H3,(H2-,37,38,39,43,45)/p+1/t26-,28-,32-/m0/s1
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n/an/an/a 5.40E+3n/an/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to human HSC70 after 3 hrs by ELISA


ACS Med Chem Lett 4: (2013)


Article DOI: 10.1021/ml400204n
BindingDB Entry DOI: 10.7270/Q2Q81FHC
More data for this
Ligand-Target Pair