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PubMed code 19610616

Compile data set for download or QSAR
Found 29 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
Heat shock protein HSP 90-beta


(Homo sapiens (Human))		BDBM33240
PNG
(thieno[2,3-d]pyrimidine, 34g)
Show SMILES CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCC(N)=O)c(Cl)cc1Cl
Show InChI InChI=1S/C17H15Cl2N5O3S/c1-2-22-15(26)12-4-8-14(23-17(21)24-16(8)28-12)7-3-11(27-6-13(20)25)10(19)5-9(7)18/h3-5H,2,6H2,1H3,(H2,20,25)(H,22,26)(H2,21,23,24)
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n/an/a 29n/an/an/an/a7.423



Vernalis (R&D) Ltd



Assay Description
The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...

J Med Chem 52: 4794-809 (2009)


Article DOI: 10.1021/jm900357y
BindingDB Entry DOI: 10.7270/Q2445JVZ
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))		BDBM33236
PNG
(thieno[2,3-d]pyrimidine, 34c)
Show SMILES CCN(CC)CCOc1cc(c(Cl)cc1Cl)-c1nc(N)nc2sc(cc12)C(=O)NCC(F)(F)F
Show InChI InChI=1S/C21H22Cl2F3N5O2S/c1-3-31(4-2)5-6-33-15-7-11(13(22)9-14(15)23)17-12-8-16(18(32)28-10-21(24,25)26)34-19(12)30-20(27)29-17/h7-9H,3-6,10H2,1-2H3,(H,28,32)(H2,27,29,30)
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n/an/a 47n/an/an/an/a7.423



Vernalis (R&D) Ltd



Assay Description
The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...

J Med Chem 52: 4794-809 (2009)


Article DOI: 10.1021/jm900357y
BindingDB Entry DOI: 10.7270/Q2445JVZ
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))		BDBM33234
PNG
(thieno[2,3-d]pyrimidine, 34a)
Show SMILES CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCCN(CC)CC)c(Cl)cc1Cl
Show InChI InChI=1S/C21H25Cl2N5O2S/c1-4-25-19(29)17-10-13-18(26-21(24)27-20(13)31-17)12-9-16(15(23)11-14(12)22)30-8-7-28(5-2)6-3/h9-11H,4-8H2,1-3H3,(H,25,29)(H2,24,26,27)
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n/an/a 56n/an/an/an/a7.423



Vernalis (R&D) Ltd



Assay Description
The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...

J Med Chem 52: 4794-809 (2009)


Article DOI: 10.1021/jm900357y
BindingDB Entry DOI: 10.7270/Q2445JVZ
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))		BDBM33237
PNG
(thieno[2,3-d]pyrimidine, 34d)
Show SMILES CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCCN2CCCC2)c(Cl)cc1Cl
Show InChI InChI=1S/C21H23Cl2N5O2S/c1-2-25-19(29)17-10-13-18(26-21(24)27-20(13)31-17)12-9-16(15(23)11-14(12)22)30-8-7-28-5-3-4-6-28/h9-11H,2-8H2,1H3,(H,25,29)(H2,24,26,27)
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n/an/a 58n/an/an/an/a7.423



Vernalis (R&D) Ltd



Assay Description
The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...

J Med Chem 52: 4794-809 (2009)


Article DOI: 10.1021/jm900357y
BindingDB Entry DOI: 10.7270/Q2445JVZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Heat shock protein HSP 90-beta


(Homo sapiens (Human))		BDBM33246
PNG
(thieno[2,3-d]pyrimidine, 34m)
Show SMILES CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCCN2CCC(F)(F)CC2)c(Cl)cc1Cl
Show InChI InChI=1S/C22H23Cl2F2N5O2S/c1-2-28-19(32)17-10-13-18(29-21(27)30-20(13)34-17)12-9-16(15(24)11-14(12)23)33-8-7-31-5-3-22(25,26)4-6-31/h9-11H,2-8H2,1H3,(H,28,32)(H2,27,29,30)
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n/an/a 58n/an/an/an/a7.423



Vernalis (R&D) Ltd



Assay Description
The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...

J Med Chem 52: 4794-809 (2009)


Article DOI: 10.1021/jm900357y
BindingDB Entry DOI: 10.7270/Q2445JVZ
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))		BDBM33235
PNG
(thieno[2,3-d]pyrimidine, 34b)
Show SMILES CCN(CC)CCOc1cc(c(Cl)cc1Cl)-c1nc(N)nc2sc(cc12)C(=O)NC1CC1
Show InChI InChI=1S/C22H25Cl2N5O2S/c1-3-29(4-2)7-8-31-17-9-13(15(23)11-16(17)24)19-14-10-18(20(30)26-12-5-6-12)32-21(14)28-22(25)27-19/h9-12H,3-8H2,1-2H3,(H,26,30)(H2,25,27,28)
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n/an/a 64n/an/an/an/a7.423



Vernalis (R&D) Ltd



Assay Description
The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...

J Med Chem 52: 4794-809 (2009)


Article DOI: 10.1021/jm900357y
BindingDB Entry DOI: 10.7270/Q2445JVZ
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))		BDBM33239
PNG
(thieno[2,3-d]pyrimidine, 34f)
Show SMILES CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCCCN(C)C)c(Cl)cc1Cl
Show InChI InChI=1S/C20H23Cl2N5O2S/c1-4-24-18(28)16-9-12-17(25-20(23)26-19(12)30-16)11-8-15(14(22)10-13(11)21)29-7-5-6-27(2)3/h8-10H,4-7H2,1-3H3,(H,24,28)(H2,23,25,26)
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n/an/a 80n/an/an/an/a7.423



Vernalis (R&D) Ltd



Assay Description
The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...

J Med Chem 52: 4794-809 (2009)


Article DOI: 10.1021/jm900357y
BindingDB Entry DOI: 10.7270/Q2445JVZ
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))		BDBM33241
PNG
(thieno[2,3-d]pyrimidine, 34h)
Show SMILES CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCC#N)c(Cl)cc1Cl
Show InChI InChI=1S/C17H13Cl2N5O2S/c1-2-22-15(25)13-6-9-14(23-17(21)24-16(9)27-13)8-5-12(26-4-3-20)11(19)7-10(8)18/h5-7H,2,4H2,1H3,(H,22,25)(H2,21,23,24)
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n/an/a 80n/an/an/an/a7.423



Vernalis (R&D) Ltd



Assay Description
The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...

J Med Chem 52: 4794-809 (2009)


Article DOI: 10.1021/jm900357y
BindingDB Entry DOI: 10.7270/Q2445JVZ
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))		BDBM33245
PNG
(thieno[2,3-d]pyrimidine, 34l)
Show SMILES CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCCNCCOC)c(Cl)cc1Cl
Show InChI InChI=1S/C20H23Cl2N5O3S/c1-3-25-18(28)16-9-12-17(26-20(23)27-19(12)31-16)11-8-15(14(22)10-13(11)21)30-7-5-24-4-6-29-2/h8-10,24H,3-7H2,1-2H3,(H,25,28)(H2,23,26,27)
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n/an/a 84n/an/an/an/a7.423



Vernalis (R&D) Ltd



Assay Description
The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...

J Med Chem 52: 4794-809 (2009)


Article DOI: 10.1021/jm900357y
BindingDB Entry DOI: 10.7270/Q2445JVZ
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))		BDBM33243
PNG
(thieno[2,3-d]pyrimidine, 34j)
Show SMILES CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCCNC2CCCCC2)c(Cl)cc1Cl
Show InChI InChI=1S/C23H27Cl2N5O2S/c1-2-27-21(31)19-11-15-20(29-23(26)30-22(15)33-19)14-10-18(17(25)12-16(14)24)32-9-8-28-13-6-4-3-5-7-13/h10-13,28H,2-9H2,1H3,(H,27,31)(H2,26,29,30)
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n/an/a 87n/an/an/an/a7.423



Vernalis (R&D) Ltd



Assay Description
The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...

J Med Chem 52: 4794-809 (2009)


Article DOI: 10.1021/jm900357y
BindingDB Entry DOI: 10.7270/Q2445JVZ
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))		BDBM33244
PNG
(thieno[2,3-d]pyrimidine, 34k)
Show SMILES CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCCN2CCN(C)CC2)c(Cl)cc1Cl
Show InChI InChI=1S/C22H26Cl2N6O2S/c1-3-26-20(31)18-11-14-19(27-22(25)28-21(14)33-18)13-10-17(16(24)12-15(13)23)32-9-8-30-6-4-29(2)5-7-30/h10-12H,3-9H2,1-2H3,(H,26,31)(H2,25,27,28)
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n/an/a 102n/an/an/an/a7.423



Vernalis (R&D) Ltd



Assay Description
The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...

J Med Chem 52: 4794-809 (2009)


Article DOI: 10.1021/jm900357y
BindingDB Entry DOI: 10.7270/Q2445JVZ
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))		BDBM33238
PNG
(thieno[2,3-d]pyrimidine, 34e)
Show SMILES CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCCN(C)C)c(Cl)cc1Cl
Show InChI InChI=1S/C19H21Cl2N5O2S/c1-4-23-17(27)15-8-11-16(24-19(22)25-18(11)29-15)10-7-14(13(21)9-12(10)20)28-6-5-26(2)3/h7-9H,4-6H2,1-3H3,(H,23,27)(H2,22,24,25)
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n/an/a 127n/an/an/an/a7.423



Vernalis (R&D) Ltd



Assay Description
The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...

J Med Chem 52: 4794-809 (2009)


Article DOI: 10.1021/jm900357y
BindingDB Entry DOI: 10.7270/Q2445JVZ
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))		BDBM33242
PNG
(thieno[2,3-d]pyrimidine, 34i)
Show SMILES CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OC2CCN(CC)C2)c(Cl)cc1Cl
Show InChI InChI=1S/C21H23Cl2N5O2S/c1-3-25-19(29)17-8-13-18(26-21(24)27-20(13)31-17)12-7-16(15(23)9-14(12)22)30-11-5-6-28(4-2)10-11/h7-9,11H,3-6,10H2,1-2H3,(H,25,29)(H2,24,26,27)
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n/an/a 176n/an/an/an/a7.423



Vernalis (R&D) Ltd



Assay Description
The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...

J Med Chem 52: 4794-809 (2009)


Article DOI: 10.1021/jm900357y
BindingDB Entry DOI: 10.7270/Q2445JVZ
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))		BDBM33233
PNG
(thieno[2,3-d]pyrimidine, 21e)
Show SMILES CCNC(=O)c1cc2c(nc(N)nc2s1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C15H12Cl2N4OS/c1-2-19-13(22)11-6-9-12(20-15(18)21-14(9)23-11)8-4-3-7(16)5-10(8)17/h3-6H,2H2,1H3,(H,19,22)(H2,18,20,21)
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n/an/a 230n/an/an/an/a7.423



Vernalis (R&D) Ltd



Assay Description
The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...

J Med Chem 52: 4794-809 (2009)


Article DOI: 10.1021/jm900357y
BindingDB Entry DOI: 10.7270/Q2445JVZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Heat shock protein HSP 90-beta


(Homo sapiens (Human))		BDBM33232
PNG
(thieno[2,3-d]pyrimidine, 21d)
Show SMILES CCNC(=O)c1cc2c(nc(N)nc2s1)-c1ccc(cc1C)C#N
Show InChI InChI=1S/C17H15N5OS/c1-3-20-15(23)13-7-12-14(21-17(19)22-16(12)24-13)11-5-4-10(8-18)6-9(11)2/h4-7H,3H2,1-2H3,(H,20,23)(H2,19,21,22)
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n/an/a 300n/an/an/an/a7.423



Vernalis (R&D) Ltd



Assay Description
The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...

J Med Chem 52: 4794-809 (2009)


Article DOI: 10.1021/jm900357y
BindingDB Entry DOI: 10.7270/Q2445JVZ
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))		BDBM33231
PNG
(thieno[2,3-d]pyrimidine, 21c)
Show SMILES CCNC(=O)c1cc2c(nc(N)nc2s1)-c1ccc(C)cc1C
Show InChI InChI=1S/C17H18N4OS/c1-4-19-15(22)13-8-12-14(20-17(18)21-16(12)23-13)11-6-5-9(2)7-10(11)3/h5-8H,4H2,1-3H3,(H,19,22)(H2,18,20,21)
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n/an/a 340n/an/an/an/a7.423



Vernalis (R&D) Ltd



Assay Description
The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...

J Med Chem 52: 4794-809 (2009)


Article DOI: 10.1021/jm900357y
BindingDB Entry DOI: 10.7270/Q2445JVZ
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))		BDBM33230
PNG
(thieno[2,3-d]pyrimidine, 21b)
Show SMILES CCNC(=O)c1cc2c(nc(N)nc2s1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H13ClN4OS/c1-2-18-13(21)11-7-10-12(8-3-5-9(16)6-4-8)19-15(17)20-14(10)22-11/h3-7H,2H2,1H3,(H,18,21)(H2,17,19,20)
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n/an/a 720n/an/an/an/a7.423



Vernalis (R&D) Ltd



Assay Description
The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...

J Med Chem 52: 4794-809 (2009)


Article DOI: 10.1021/jm900357y
BindingDB Entry DOI: 10.7270/Q2445JVZ
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))		BDBM33225
PNG
(thienopyridine, 13)
Show SMILES CCOc1ccc(cc1)-c1c(C#N)c(N)nc2sc(C(N)=O)c(N)c12
Show InChI InChI=1S/C17H15N5O2S/c1-2-24-9-5-3-8(4-6-9)11-10(7-18)15(20)22-17-12(11)13(19)14(25-17)16(21)23/h3-6H,2,19H2,1H3,(H2,20,22)(H2,21,23)
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n/an/a 900n/an/an/an/a7.423



Vernalis (R&D) Ltd



Assay Description
The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...

J Med Chem 52: 4794-809 (2009)


Article DOI: 10.1021/jm900357y
BindingDB Entry DOI: 10.7270/Q2445JVZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Heat shock protein HSP 90-beta


(Homo sapiens (Human))		BDBM33224
PNG
(pyrimidin-2-amine, 12)
Show SMILES Nc1ncc(\N=N\c2ccccc2)c(n1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H11Cl2N5/c17-10-6-7-12(13(18)8-10)15-14(9-20-16(19)21-15)23-22-11-4-2-1-3-5-11/h1-9H,(H2,19,20,21)/b23-22+
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n/an/a 1.56E+3n/an/an/an/a7.423



Vernalis (R&D) Ltd



Assay Description
The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...

J Med Chem 52: 4794-809 (2009)


Article DOI: 10.1021/jm900357y
BindingDB Entry DOI: 10.7270/Q2445JVZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Heat shock protein HSP 90-beta


(Homo sapiens (Human))		BDBM33229
PNG
(thieno[2,3-d]pyrimidine, 21a)
Show SMILES CCNC(=O)c1cc2c(nc(N)nc2s1)-c1ccccc1
Show InChI InChI=1S/C15H14N4OS/c1-2-17-13(20)11-8-10-12(9-6-4-3-5-7-9)18-15(16)19-14(10)21-11/h3-8H,2H2,1H3,(H,17,20)(H2,16,18,19)
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n/an/a 5.70E+3n/an/an/an/a7.423



Vernalis (R&D) Ltd



Assay Description
The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...

J Med Chem 52: 4794-809 (2009)


Article DOI: 10.1021/jm900357y
BindingDB Entry DOI: 10.7270/Q2445JVZ
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))		BDBM33226
PNG
(1,3,5-triazin-2-amine, 14)
Show SMILES CSc1nc(N)nc(n1)-c1ccccc1
Show InChI InChI=1S/C10H10N4S/c1-15-10-13-8(12-9(11)14-10)7-5-3-2-4-6-7/h2-6H,1H3,(H2,11,12,13,14)
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n/an/a 2.00E+4n/an/an/an/a7.423



Vernalis (R&D) Ltd



Assay Description
The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...

J Med Chem 52: 4794-809 (2009)


Article DOI: 10.1021/jm900357y
BindingDB Entry DOI: 10.7270/Q2445JVZ
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))		BDBM33222
PNG
(1,3,5-triazin-2-amine, 10)
Show SMILES CSc1nc(C)nc(N)n1
Show InChI InChI=1S/C5H8N4S/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)
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n/an/a 3.50E+5n/an/an/an/a7.423



Vernalis (R&D) Ltd



Assay Description
The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...

J Med Chem 52: 4794-809 (2009)


Article DOI: 10.1021/jm900357y
BindingDB Entry DOI: 10.7270/Q2445JVZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Heat shock protein HSP 90-beta


(Homo sapiens (Human))		BDBM33220
PNG
(resorcinol fragment, 8)
Show SMILES COC(=O)Cc1cc(O)cc(O)c1
Show InChI InChI=1S/C9H10O4/c1-13-9(12)4-6-2-7(10)5-8(11)3-6/h2-3,5,10-11H,4H2,1H3
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n/an/a 4.90E+5n/an/an/an/a7.423



Vernalis (R&D) Ltd



Assay Description
The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...

J Med Chem 52: 4794-809 (2009)


Article DOI: 10.1021/jm900357y
BindingDB Entry DOI: 10.7270/Q2445JVZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Heat shock protein HSP 90-beta


(Homo sapiens (Human))		BDBM33227
PNG
(pyrimidin-2-amine, 15)
Show SMILES CNC(=O)CSc1cc(C)nc(N)n1
Show InChI InChI=1S/C8H12N4OS/c1-5-3-7(12-8(9)11-5)14-4-6(13)10-2/h3H,4H2,1-2H3,(H,10,13)(H2,9,11,12)
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n/an/a 5.35E+5n/an/an/an/a7.423



Vernalis (R&D) Ltd



Assay Description
The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...

J Med Chem 52: 4794-809 (2009)


Article DOI: 10.1021/jm900357y
BindingDB Entry DOI: 10.7270/Q2445JVZ
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))		BDBM33221
PNG
(resorcinol fragment, 9)
Show SMILES CCC(=O)c1ccc(O)cc1O
Show InChI InChI=1S/C9H10O3/c1-2-8(11)7-4-3-6(10)5-9(7)12/h3-5,10,12H,2H2,1H3
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n/an/a 5.70E+5n/an/an/an/a7.423



Vernalis (R&D) Ltd



Assay Description
The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...

J Med Chem 52: 4794-809 (2009)


Article DOI: 10.1021/jm900357y
BindingDB Entry DOI: 10.7270/Q2445JVZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Heat shock protein HSP 90-beta


(Homo sapiens (Human))		BDBM33228
PNG
(thieno[2,3-d]pyrimidine, 16)
Show SMILES NC(=O)c1cc2c(N)nc(N)nc2s1
Show InChI InChI=1S/C7H7N5OS/c8-4-2-1-3(5(9)13)14-6(2)12-7(10)11-4/h1H,(H2,9,13)(H4,8,10,11,12)
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n/an/a 1.25E+6n/an/an/an/a7.423



Vernalis (R&D) Ltd



Assay Description
The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...

J Med Chem 52: 4794-809 (2009)


Article DOI: 10.1021/jm900357y
BindingDB Entry DOI: 10.7270/Q2445JVZ
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))		BDBM33218
PNG
(Adenine, 1 | CHEMBL226345 | purine, 6)
Show SMILES Nc1ncnc2nc[nH]c12
Show InChI InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
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n/an/a>4.00E+6n/an/an/an/a7.423



Vernalis (R&D) Ltd



Assay Description
The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...

J Med Chem 52: 4794-809 (2009)


Article DOI: 10.1021/jm900357y
BindingDB Entry DOI: 10.7270/Q2445JVZ
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))		BDBM33223
PNG
(pyrimidin-2-amine, 11)
Show SMILES COCCOc1cc(C)nc(N)n1
Show InChI InChI=1S/C8H13N3O2/c1-6-5-7(11-8(9)10-6)13-4-3-12-2/h5H,3-4H2,1-2H3,(H2,9,10,11)
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n/an/a>4.00E+6n/an/an/an/a7.423



Vernalis (R&D) Ltd



Assay Description
The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...

J Med Chem 52: 4794-809 (2009)


Article DOI: 10.1021/jm900357y
BindingDB Entry DOI: 10.7270/Q2445JVZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Heat shock protein HSP 90-beta


(Homo sapiens (Human))		BDBM33219
PNG
(2-amino benzamide, 7)
Show SMILES NC(=O)c1ccccc1N
Show InChI InChI=1S/C7H8N2O/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H2,9,10)
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n/an/a>4.00E+6n/an/an/an/a7.423



Vernalis (R&D) Ltd



Assay Description
The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...

J Med Chem 52: 4794-809 (2009)


Article DOI: 10.1021/jm900357y
BindingDB Entry DOI: 10.7270/Q2445JVZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
* indicates data uncertainty>20%