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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50150166   
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 protein HSP 90-alpha/90-beta


(Homo sapiens (Human))
BDBM50150166
PNG
(CHEMBL339562 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
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)c2NC(=O)c1cccc(OC)c1 |w:6.6,16.16,t:28|
Show InChI InChI=1S/C36H45N3O10/c1-19-14-25-30(39-35(44)23-11-9-12-24(17-23)46-5)27(40)18-26(32(25)42)38-34(43)20(2)10-8-13-28(47-6)33(49-36(37)45)22(4)16-21(3)31(41)29(15-19)48-7/h8-14,16-18,21,28-29,31,33,40-42H,15H2,1-7H3,(H2,37,45)(H,38,43)(H,39,44)/b13-8?,19-14?,20-10?,22-16+/t21-,28-,29-,31+,33-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor 2 (Her-2) degredation in MCF-7 cells


J Med Chem 47: 3865-73 (2004)


Article DOI: 10.1021/jm0306125
BindingDB Entry DOI: 10.7270/Q2NC60N3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta


(Homo sapiens (Human))
BDBM50150166
PNG
(CHEMBL339562 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
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)c2NC(=O)c1cccc(OC)c1 |w:6.6,16.16,t:28|
Show InChI InChI=1S/C36H45N3O10/c1-19-14-25-30(39-35(44)23-11-9-12-24(17-23)46-5)27(40)18-26(32(25)42)38-34(43)20(2)10-8-13-28(47-6)33(49-36(37)45)22(4)16-21(3)31(41)29(15-19)48-7/h8-14,16-18,21,28-29,31,33,40-42H,15H2,1-7H3,(H2,37,45)(H,38,43)(H,39,44)/b13-8?,19-14?,20-10?,22-16+/t21-,28-,29-,31+,33-/m0/s1
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n/an/a 900n/an/an/an/an/an/a



Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Concentration required to inhbit Bis-ANS activity by recombinant heat shock protein 90 (rHSP90) conformational assay


J Med Chem 47: 3865-73 (2004)


Article DOI: 10.1021/jm0306125
BindingDB Entry DOI: 10.7270/Q2NC60N3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta


(Homo sapiens (Human))
BDBM50150166
PNG
(CHEMBL339562 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
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)c2NC(=O)c1cccc(OC)c1 |w:6.6,16.16,t:28|
Show InChI InChI=1S/C36H45N3O10/c1-19-14-25-30(39-35(44)23-11-9-12-24(17-23)46-5)27(40)18-26(32(25)42)38-34(43)20(2)10-8-13-28(47-6)33(49-36(37)45)22(4)16-21(3)31(41)29(15-19)48-7/h8-14,16-18,21,28-29,31,33,40-42H,15H2,1-7H3,(H2,37,45)(H,38,43)(H,39,44)/b13-8?,19-14?,20-10?,22-16+/t21-,28-,29-,31+,33-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Concentration required to inhibit biotin-GM binding to recombinant heat shock protein 90(rHsp90)


J Med Chem 47: 3865-73 (2004)


Article DOI: 10.1021/jm0306125
BindingDB Entry DOI: 10.7270/Q2NC60N3
More data for this
Ligand-Target Pair