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Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90' AND taxid = 9986   
Target
(Institution)
LigandTarget
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 protein HSP 90


(Oryctolagus cuniculus)
BDBM50008059
PNG
(CHEBI:5292 | GELDANAMYCIN)
Show SMILES CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O
Show InChI InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9+,18-13+/t15-,17+,22+,23+,24-,26+/m1/s1
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KEGG
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PC sid
PDB
UniChem

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Article
PubMed
n/an/a 282n/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of HSP90 in rabbit reticulocyte lysate after 90 mins by luciferase renaturation assay


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90


(Oryctolagus cuniculus)
BDBM20732
PNG
((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2OC
Show InChI InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-11,13-14,17,22-24,26,32-34H,12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8?,15-11?,16-9?,18-13+/t17-,22-,23-,24+,26-/m0/s1
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UniChem

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Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of HSP90 dependent refolding of heat denatured firefly luciferase in rabbit reticulocyte lysate after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90


(Oryctolagus cuniculus)
BDBM50048520
PNG
(CHEMBL3360777)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC1=O)C(N)=O
Show InChI InChI=1/C106H162N32O25S/c1-13-54(7)84(101(160)127-66-28-19-20-35-115-82(143)46-71(87(109)146)128-95(154)72(40-52(3)4)131-98(157)74(42-59-48-118-64-26-17-15-24-62(59)64)132-96(155)73(41-53(5)6)130-90(66)149)136-93(152)70(34-39-164-12)125-89(148)67(29-21-36-116-105(110)111)123-97(156)75(43-60-49-119-65-27-18-16-25-63(60)65)133-102(161)85(55(8)14-2)135-91(150)68(30-22-37-117-106(112)113)124-99(158)77(45-81(108)142)129-88(147)56(9)121-94(153)76(44-61-50-114-51-120-61)134-103(162)86(57(10)139)137-92(151)69(32-33-80(107)141)126-100(159)79-31-23-38-138(79)104(163)78(47-83(144)145)122-58(11)140/h15-18,24-27,48-57,66-79,84-86,118-119,139H,13-14,19-23,28-47H2,1-12H3,(H2,107,141)(H2,108,142)(H2,109,146)(H,114,120)(H,115,143)(H,121,153)(H,122,140)(H,123,156)(H,124,158)(H,125,148)(H,126,159)(H,127,160)(H,128,154)(H,129,147)(H,130,149)(H,131,157)(H,132,155)(H,133,161)(H,134,162)(H,135,150)(H,136,152)(H,137,151)(H,144,145)(H4,110,111,116)(H4,112,113,117)/t54-,55-,56-,57+,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,84-,85-,86-/s2
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PubMed
n/an/a 4.11E+3n/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of HSP90 in rabbit reticulocyte lysate after 90 mins by luciferase renaturation assay


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90


(Oryctolagus cuniculus)
BDBM50048519
PNG
(CHEMBL3360776)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC1=O)C(N)=O
Show InChI InChI=1/C104H161N31O26S/c1-13-53(7)82(99(158)124-64-24-17-18-35-113-80(141)46-69(85(107)144)125-93(152)70(40-51(3)4)128-96(155)73(43-59-48-116-63-23-16-15-22-62(59)63)129-94(153)71(41-52(5)6)127-88(64)147)133-91(150)68(34-39-162-12)122-87(146)65(25-19-36-114-103(108)109)120-95(154)72(42-58-28-30-61(138)31-29-58)130-100(159)83(54(8)14-2)132-89(148)66(26-20-37-115-104(110)111)121-97(156)75(45-79(106)140)126-86(145)55(9)118-92(151)74(44-60-49-112-50-117-60)131-101(160)84(56(10)136)134-90(149)67(32-33-78(105)139)123-98(157)77-27-21-38-135(77)102(161)76(47-81(142)143)119-57(11)137/h15-16,22-23,28-31,48-56,64-77,82-84,116,136,138H,13-14,17-21,24-27,32-47H2,1-12H3,(H2,105,139)(H2,106,140)(H2,107,144)(H,112,117)(H,113,141)(H,118,151)(H,119,137)(H,120,154)(H,121,156)(H,122,146)(H,123,157)(H,124,158)(H,125,152)(H,126,145)(H,127,147)(H,128,155)(H,129,153)(H,130,159)(H,131,160)(H,132,148)(H,133,150)(H,134,149)(H,142,143)(H4,108,109,114)(H4,110,111,115)/t53-,54-,55-,56+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,82-,83-,84-/s2
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PubMed
n/an/a 8.43E+3n/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of HSP90 in rabbit reticulocyte lysate after 90 mins by luciferase renaturation assay


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90


(Oryctolagus cuniculus)
BDBM50048494
PNG
(CHEMBL3360770)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@](C)(CCCC=C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@](C)(CCCC=C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1/C102H168N30O25/c1-16-20-23-39-101(14,97(156)126-68(45-54(5)6)83(142)114-52-77(106)138)131-91(150)69(46-55(7)8)123-84(143)64(29-22-25-41-103)121-94(153)80(57(10)19-4)129-98(157)102(15,40-24-21-17-2)130-90(149)66(31-27-43-113-100(109)110)119-88(147)70(47-61-33-35-63(135)36-34-61)124-93(152)79(56(9)18-3)127-85(144)65(30-26-42-112-99(107)108)118-89(148)72(49-76(105)137)122-82(141)58(11)116-87(146)71(48-62-51-111-53-115-62)125-95(154)81(59(12)133)128-86(145)67(37-38-75(104)136)120-92(151)74-32-28-44-132(74)96(155)73(50-78(139)140)117-60(13)134/h16-17,33-36,51,53-59,64-74,79-81,133,135H,1-2,18-32,37-50,52,103H2,3-15H3,(H2,104,136)(H2,105,137)(H2,106,138)(H,111,115)(H,114,142)(H,116,146)(H,117,134)(H,118,148)(H,119,147)(H,120,151)(H,121,153)(H,122,141)(H,123,143)(H,124,152)(H,125,154)(H,126,156)(H,127,144)(H,128,145)(H,129,157)(H,130,149)(H,131,150)(H,139,140)(H4,107,108,112)(H4,109,110,113)/t56-,57-,58-,59+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,79-,80-,81-,101-,102-/s2
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PubMed
n/an/a 1.44E+4n/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of HSP90 in rabbit reticulocyte lysate after 90 mins by luciferase renaturation assay


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90


(Oryctolagus cuniculus)
BDBM50048490
PNG
(COUMERMYCIN A1 | Coumermycin A1)
Show SMILES CO[C@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](O)[C@@H](Oc2ccc3c(O)c(NC(=O)c4c[nH]c(C(=O)Nc5c(O)c6ccc(O[C@H]7OC(C)(C)[C@@H](OC)[C@H](OC(=O)c8ccc(C)[nH]8)[C@@H]7O)c(C)c6oc5=O)c4C)c(=O)oc3c2C)OC1(C)C
Show InChI InChI=1S/C55H59N5O20/c1-21-12-16-29(57-21)48(67)77-42-38(63)52(79-54(6,7)44(42)71-10)73-31-18-14-26-36(61)34(50(69)75-40(26)24(31)4)59-46(65)28-20-56-33(23(28)3)47(66)60-35-37(62)27-15-19-32(25(5)41(27)76-51(35)70)74-53-39(64)43(45(72-11)55(8,9)80-53)78-49(68)30-17-13-22(2)58-30/h12-20,38-39,42-45,52-53,56-58,61-64H,1-11H3,(H,59,65)(H,60,66)/t38-,39-,42+,43+,44-,45-,52-,53-/m0/s1
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n/an/a 2.81E+4n/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of HSP90 in rabbit reticulocyte lysate after 90 mins by luciferase renaturation assay


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90


(Oryctolagus cuniculus)
BDBM50048499
PNG
(CHEMBL3360775)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1/C102H161N31O25S/c1-13-53(7)81(97(155)123-64(24-17-18-35-103)87(145)126-70(41-52(5)6)92(150)127-72(43-59-47-114-63-23-16-15-22-62(59)63)94(152)125-69(40-51(3)4)85(143)115-49-79(106)139)131-90(148)68(34-39-159-12)121-86(144)65(25-19-36-112-101(107)108)119-93(151)71(42-58-28-30-61(136)31-29-58)128-98(156)82(54(8)14-2)130-88(146)66(26-20-37-113-102(109)110)120-95(153)74(45-78(105)138)124-84(142)55(9)117-91(149)73(44-60-48-111-50-116-60)129-99(157)83(56(10)134)132-89(147)67(32-33-77(104)137)122-96(154)76-27-21-38-133(76)100(158)75(46-80(140)141)118-57(11)135/h15-16,22-23,28-31,47-48,50-56,64-76,81-83,114,134,136H,13-14,17-21,24-27,32-46,49,103H2,1-12H3,(H2,104,137)(H2,105,138)(H2,106,139)(H,111,116)(H,115,143)(H,117,149)(H,118,135)(H,119,151)(H,120,153)(H,121,144)(H,122,154)(H,123,155)(H,124,142)(H,125,152)(H,126,145)(H,127,150)(H,128,156)(H,129,157)(H,130,146)(H,131,148)(H,132,147)(H,140,141)(H4,107,108,112)(H4,109,110,113)/t53-,54-,55-,56+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,81-,82-,83-/s2
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PubMed
n/an/a 3.20E+4n/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of HSP90 in rabbit reticulocyte lysate after 90 mins by luciferase renaturation assay


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90


(Oryctolagus cuniculus)
BDBM50048497
PNG
(CHEMBL3360773)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC1=O)C(O)=O
Show InChI InChI=1/C95H153N29O27S/c1-13-48(7)74(89(146)115-56-20-15-16-31-103-71(130)41-67(93(150)151)120-85(142)62(37-47(5)6)110-72(131)44-106-78(135)61(36-46(3)4)117-80(56)137)122-83(140)60(30-35-152-12)113-79(136)57(21-17-32-104-94(98)99)111-86(143)63(38-53-24-26-55(127)27-25-53)118-90(147)75(49(8)14-2)121-81(138)58(22-18-33-105-95(100)101)112-87(144)65(40-70(97)129)116-77(134)50(9)108-84(141)64(39-54-43-102-45-107-54)119-91(148)76(51(10)125)123-82(139)59(28-29-69(96)128)114-88(145)68-23-19-34-124(68)92(149)66(42-73(132)133)109-52(11)126/h24-27,43,45-51,56-68,74-76,125,127H,13-23,28-42,44H2,1-12H3,(H2,96,128)(H2,97,129)(H,102,107)(H,103,130)(H,106,135)(H,108,141)(H,109,126)(H,110,131)(H,111,143)(H,112,144)(H,113,136)(H,114,145)(H,115,146)(H,116,134)(H,117,137)(H,118,147)(H,119,148)(H,120,142)(H,121,138)(H,122,140)(H,123,139)(H,132,133)(H,150,151)(H4,98,99,104)(H4,100,101,105)/t48-,49-,50-,51+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,74-,75-,76-/s2
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n/an/a 3.70E+4n/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of HSP90 in rabbit reticulocyte lysate after 90 mins by luciferase renaturation assay


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90


(Oryctolagus cuniculus)
BDBM50048493
PNG
(CHEMBL3360769)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]1(C)CCC\C=C\CCC[C@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC1=O)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1/C100H164N30O25/c1-14-54(7)77(125-83(142)63(28-24-40-110-97(105)106)116-87(146)70(47-74(103)135)120-80(139)56(9)114-85(144)69(46-60-49-109-51-113-60)123-93(152)79(57(10)131)126-84(143)65(35-36-73(102)134)118-90(149)72-30-26-42-130(72)94(153)71(48-76(137)138)115-58(11)132)91(150)122-68(45-59-31-33-61(133)34-32-59)86(145)117-64(29-25-41-111-98(107)108)88(147)128-100(13)38-22-19-17-16-18-21-37-99(12,95(154)124-66(43-52(3)4)81(140)112-50-75(104)136)129-89(148)67(44-53(5)6)121-82(141)62(27-20-23-39-101)119-92(151)78(55(8)15-2)127-96(100)155/h16-17,31-34,49,51-57,62-72,77-79,131,133H,14-15,18-30,35-48,50,101H2,1-13H3,(H2,102,134)(H2,103,135)(H2,104,136)(H,109,113)(H,112,140)(H,114,144)(H,115,132)(H,116,146)(H,117,145)(H,118,149)(H,119,151)(H,120,139)(H,121,141)(H,122,150)(H,123,152)(H,124,154)(H,125,142)(H,126,143)(H,127,155)(H,128,147)(H,129,148)(H,137,138)(H4,105,106,110)(H4,107,108,111)/b17-16+/t54-,55-,56-,57+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,77-,78-,79-,99-,100-/s2
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PubMed
n/an/a 3.79E+4n/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of HSP90 in rabbit reticulocyte lysate after 90 mins by luciferase renaturation assay


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90


(Oryctolagus cuniculus)
BDBM50048498
PNG
(CHEMBL3360774)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1/C86H142N28O23/c1-12-44(7)67(81(134)105-52(19-14-15-29-87)72(125)108-57(34-43(5)6)77(130)107-56(33-42(3)4)71(124)98-40-65(90)120)111-73(126)53(20-16-30-96-85(91)92)102-78(131)58(35-49-23-25-51(117)26-24-49)109-82(135)68(45(8)13-2)112-74(127)54(21-17-31-97-86(93)94)103-79(132)60(37-64(89)119)106-70(123)46(9)100-76(129)59(36-50-39-95-41-99-50)110-83(136)69(47(10)115)113-75(128)55(27-28-63(88)118)104-80(133)62-22-18-32-114(62)84(137)61(38-66(121)122)101-48(11)116/h23-26,39,41-47,52-62,67-69,115,117H,12-22,27-38,40,87H2,1-11H3,(H2,88,118)(H2,89,119)(H2,90,120)(H,95,99)(H,98,124)(H,100,129)(H,101,116)(H,102,131)(H,103,132)(H,104,133)(H,105,134)(H,106,123)(H,107,130)(H,108,125)(H,109,135)(H,110,136)(H,111,126)(H,112,127)(H,113,128)(H,121,122)(H4,91,92,96)(H4,93,94,97)/t44-,45-,46-,47+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,67-,68-,69-/s2
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n/an/a 3.80E+4n/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of HSP90 in rabbit reticulocyte lysate after 90 mins by luciferase renaturation assay


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90


(Oryctolagus cuniculus)
BDBM50048492
PNG
(CHEMBL3360767)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1/C97H162N30O25S/c1-15-51(9)76(92(149)117-59(22-17-18-33-98)82(139)120-65(39-49(5)6)88(145)121-66(40-50(7)8)87(144)119-64(38-48(3)4)80(137)109-46-74(101)133)125-85(142)63(32-37-153-14)115-81(138)60(23-19-34-107-96(102)103)113-89(146)67(41-56-26-28-58(130)29-27-56)122-93(150)77(52(10)16-2)124-83(140)61(24-20-35-108-97(104)105)114-90(147)69(43-73(100)132)118-79(136)53(11)111-86(143)68(42-57-45-106-47-110-57)123-94(151)78(54(12)128)126-84(141)62(30-31-72(99)131)116-91(148)71-25-21-36-127(71)95(152)70(44-75(134)135)112-55(13)129/h26-29,45,47-54,59-71,76-78,128,130H,15-25,30-44,46,98H2,1-14H3,(H2,99,131)(H2,100,132)(H2,101,133)(H,106,110)(H,109,137)(H,111,143)(H,112,129)(H,113,146)(H,114,147)(H,115,138)(H,116,148)(H,117,149)(H,118,136)(H,119,144)(H,120,139)(H,121,145)(H,122,150)(H,123,151)(H,124,140)(H,125,142)(H,126,141)(H,134,135)(H4,102,103,107)(H4,104,105,108)/t51-,52-,53-,54+,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,76-,77-,78-/s2
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n/an/a 9.45E+4n/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of HSP90 in rabbit reticulocyte lysate after 90 mins by luciferase renaturation assay


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90


(Oryctolagus cuniculus)
BDBM50048496
PNG
(CHEMBL3360772)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC1=O)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1/C96H157N31O26/c1-12-49(7)75-91(150)117-57(21-14-16-32-97)81(140)120-63(38-48(5)6)86(145)121-67(89(148)119-62(37-47(3)4)79(138)109-45-72(100)133)42-73(134)106-33-17-15-22-58(82(141)124-75)113-80(139)59(23-18-34-107-95(101)102)114-87(146)64(39-54-26-28-56(130)29-27-54)122-92(151)76(50(8)13-2)125-83(142)60(24-19-35-108-96(103)104)115-88(147)66(41-71(99)132)118-78(137)51(9)111-85(144)65(40-55-44-105-46-110-55)123-93(152)77(52(10)128)126-84(143)61(30-31-70(98)131)116-90(149)69-25-20-36-127(69)94(153)68(43-74(135)136)112-53(11)129/h26-29,44,46-52,57-69,75-77,128,130H,12-25,30-43,45,97H2,1-11H3,(H2,98,131)(H2,99,132)(H2,100,133)(H,105,110)(H,106,134)(H,109,138)(H,111,144)(H,112,129)(H,113,139)(H,114,146)(H,115,147)(H,116,149)(H,117,150)(H,118,137)(H,119,148)(H,120,140)(H,121,145)(H,122,151)(H,123,152)(H,124,141)(H,125,142)(H,126,143)(H,135,136)(H4,101,102,107)(H4,103,104,108)/t49-,50-,51-,52+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,75-,76-,77-/s2
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n/an/a 1.37E+5n/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of HSP90 in rabbit reticulocyte lysate after 90 mins by luciferase renaturation assay


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90


(Oryctolagus cuniculus)
BDBM50048495
PNG
(CHEMBL3360771)
Show SMILES CSCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCNC(=O)C[C@H](NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O
Show InChI InChI=1/C91H147N31O26S/c1-45(2)34-59(75(134)104-42-69(95)128)109-71(130)43-105-76(135)60(35-46(3)4)117-79(138)53(16-9-11-28-92)111-86(145)64-39-70(129)101-29-12-10-17-54(80(139)118-61(36-50-21-23-52(125)24-22-50)84(143)112-56(19-14-31-103-91(98)99)78(137)114-58(27-33-149-8)81(140)119-64)110-77(136)55(18-13-30-102-90(96)97)113-85(144)63(38-68(94)127)116-74(133)47(5)107-83(142)62(37-51-41-100-44-106-51)120-88(147)73(48(6)123)121-82(141)57(25-26-67(93)126)115-87(146)66-20-15-32-122(66)89(148)65(40-72(131)132)108-49(7)124/h21-24,41,44-48,53-66,73,123,125H,9-20,25-40,42-43,92H2,1-8H3,(H2,93,126)(H2,94,127)(H2,95,128)(H,100,106)(H,101,129)(H,104,134)(H,105,135)(H,107,142)(H,108,124)(H,109,130)(H,110,136)(H,111,145)(H,112,143)(H,113,144)(H,114,137)(H,115,146)(H,116,133)(H,117,138)(H,118,139)(H,119,140)(H,120,147)(H,121,141)(H,131,132)(H4,96,97,102)(H4,98,99,103)/t47-,48+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,73-/s2
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n/an/a 1.68E+5n/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of HSP90 in rabbit reticulocyte lysate after 90 mins by luciferase renaturation assay


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90


(Oryctolagus cuniculus)
BDBM50048491
PNG
(CHEMBL3360762)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1/C93H154N30O25S/c1-13-48(7)73(88(145)115-56(20-15-16-31-94)80(137)117-62(37-47(5)6)78(135)106-44-71(130)110-61(36-46(3)4)77(134)105-43-70(97)129)121-83(140)60(30-35-149-12)113-79(136)57(21-17-32-103-92(98)99)111-85(142)63(38-53-24-26-55(126)27-25-53)118-89(146)74(49(8)14-2)120-81(138)58(22-18-33-104-93(100)101)112-86(143)65(40-69(96)128)116-76(133)50(9)108-84(141)64(39-54-42-102-45-107-54)119-90(147)75(51(10)124)122-82(139)59(28-29-68(95)127)114-87(144)67-23-19-34-123(67)91(148)66(41-72(131)132)109-52(11)125/h24-27,42,45-51,56-67,73-75,124,126H,13-23,28-41,43-44,94H2,1-12H3,(H2,95,127)(H2,96,128)(H2,97,129)(H,102,107)(H,105,134)(H,106,135)(H,108,141)(H,109,125)(H,110,130)(H,111,142)(H,112,143)(H,113,136)(H,114,144)(H,115,145)(H,116,133)(H,117,137)(H,118,146)(H,119,147)(H,120,138)(H,121,140)(H,122,139)(H,131,132)(H4,98,99,103)(H4,100,101,104)/t48-,49-,50-,51+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,73-,74-,75-/s2
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n/an/a 2.33E+5n/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of HSP90 in rabbit reticulocyte lysate after 90 mins by luciferase renaturation assay


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90


(Oryctolagus cuniculus)
BDBM50226181
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C
Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1
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n/an/a 3.50E+5n/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of HSP90 dependent refolding of heat denatured firefly luciferase in rabbit reticulocyte lysate after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90


(Oryctolagus cuniculus)
BDBM50423645
PNG
(Albamycin | Cathomycin | NOVOBIOCIN)
Show SMILES CO[C@@H]1[C@@H](OC(N)=O)[C@H](O)[C@@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C
Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25-,26+,29-/m0/s1
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n/an/a 4.14E+5n/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of HSP90 in rabbit reticulocyte lysate after 90 mins by luciferase renaturation assay


Citation and Details
More data for this
Ligand-Target Pair