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Compile Data Set for Download or QSAR

Found 3 hits with Last Name = 'agard' and Initial = 'da'   
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 and hnRNPA2/B1


(Homo sapiens (human))
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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Article
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n/an/an/a 1.00E+3n/an/an/an/an/a



San Diego State University

Curated by ChEMBL


Assay Description
Binding affinity to Hsp90 N-domain


Bioorg Med Chem Lett 21: 7068-71 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.096
BindingDB Entry DOI: 10.7270/Q22R3S3T
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50358580
PNG
(CHEMBL1923743)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)NC1=O)C(C)C
Show InChI InChI=1S/C53H87N9O12S/c1-34(2)30-39-49(66)56-38(48(65)61-46(36(5)6)52(69)59-40(31-35(3)4)50(67)58-41(51(68)57-39)32-37-14-8-7-9-15-37)16-12-13-20-54-45(64)19-22-71-24-26-73-28-29-74-27-25-72-23-21-55-44(63)18-11-10-17-43-47-42(33-75-43)60-53(70)62-47/h7-9,14-15,34-36,38-43,46-47H,10-13,16-33H2,1-6H3,(H,54,64)(H,55,63)(H,56,66)(H,57,68)(H,58,67)(H,59,69)(H,61,65)(H2,60,62,70)/t38-,39-,40-,41-,42-,43-,46-,47-/m0/s1
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n/an/an/a 2.00E+4n/an/an/an/an/a



San Diego State University

Curated by ChEMBL


Assay Description
Binding affinity to Hsp90 after 1 hrs by Western blotting


Bioorg Med Chem Lett 21: 7068-71 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.096
BindingDB Entry DOI: 10.7270/Q22R3S3T
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50358579
PNG
(CHEMBL192264)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC1=O)C(C)C
Show InChI InChI=1S/C32H51N5O5/c1-18(2)14-23-28(38)34-25(16-20(5)6)31(41)37-27(21(7)8)32(42)36-24(15-19(3)4)29(39)35-26(30(40)33-23)17-22-12-10-9-11-13-22/h9-13,18-21,23-27H,14-17H2,1-8H3,(H,33,40)(H,34,38)(H,35,39)(H,36,42)(H,37,41)/t23-,24-,25-,26-,27-/m0/s1
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Article
PubMed
n/an/an/a 1.00E+5n/an/an/an/an/a



San Diego State University

Curated by ChEMBL


Assay Description
Binding affinity to human Hsp90 closed state by fluorescence polarization anisotropy


Bioorg Med Chem Lett 21: 7068-71 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.096
BindingDB Entry DOI: 10.7270/Q22R3S3T
More data for this
Ligand-Target Pair