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PubMed code 16913725

Compile data set for download or QSAR
Found 33 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
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM20761
PNG
(9-butyl-8-[(7-methyl-1,3-benzothiazol-2-yl)sulfany...)
Show SMILES CCCCn1c(Sc2nc3cccc(C)c3s2)nc2c(N)ncnc12
Show InChI InChI=1S/C17H18N6S2/c1-3-4-8-23-15-12(14(18)19-9-20-15)22-16(23)25-17-21-11-7-5-6-10(2)13(11)24-17/h5-7,9H,3-4,8H2,1-2H3,(H2,18,19,20)
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n/an/an/an/a 300n/an/a7.237



Conforma Therapeutics Corporation



Assay Description
EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...


J Med Chem 49: 5352-62 (2006)


Article DOI: 10.1021/jm051146h
BindingDB Entry DOI: 10.7270/Q26M354P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM20782
PNG
(8-({7-bromopyrido[3,4-d][1,3]thiazol-2-yl}sulfanyl...)
Show SMILES CCCCn1c(Sc2nc3cncc(Br)c3s2)nc2c(N)ncnc12
Show InChI InChI=1S/C15H14BrN7S2/c1-2-3-4-23-13-10(12(17)19-7-20-13)22-14(23)25-15-21-9-6-18-5-8(16)11(9)24-15/h5-7H,2-4H2,1H3,(H2,17,19,20)
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n/an/an/an/a 400n/an/an/an/a



Conforma Therapeutics Corporation



Assay Description
EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...


J Med Chem 49: 5352-62 (2006)


Article DOI: 10.1021/jm051146h
BindingDB Entry DOI: 10.7270/Q26M354P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM20756
PNG
(9-butyl-8-[(4-chloro-1,3-benzothiazol-2-yl)sulfany...)
Show SMILES CCCCn1c(Sc2nc3c(Cl)cccc3s2)nc2c(N)ncnc12
Show InChI InChI=1S/C16H15ClN6S2/c1-2-3-7-23-14-12(13(18)19-8-20-14)21-15(23)25-16-22-11-9(17)5-4-6-10(11)24-16/h4-6,8H,2-3,7H2,1H3,(H2,18,19,20)
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n/an/an/an/a 1.50E+4n/an/a7.237



Conforma Therapeutics Corporation



Assay Description
EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...


J Med Chem 49: 5352-62 (2006)


Article DOI: 10.1021/jm051146h
BindingDB Entry DOI: 10.7270/Q26M354P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM20767
PNG
(8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9-pen...)
Show SMILES CCCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12
Show InChI InChI=1S/C17H17ClN6S2/c1-2-3-4-8-24-15-12(14(19)20-9-21-15)23-16(24)26-17-22-11-7-5-6-10(18)13(11)25-17/h5-7,9H,2-4,8H2,1H3,(H2,19,20,21)
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n/an/an/an/a 700n/an/a7.237



Conforma Therapeutics Corporation



Assay Description
EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...


J Med Chem 49: 5352-62 (2006)


Article DOI: 10.1021/jm051146h
BindingDB Entry DOI: 10.7270/Q26M354P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM20757
PNG
(9-butyl-8-[(6-chloro-1,3-benzothiazol-2-yl)sulfany...)
Show SMILES CCCCn1c(Sc2nc3ccc(Cl)cc3s2)nc2c(N)ncnc12
Show InChI InChI=1S/C16H15ClN6S2/c1-2-3-6-23-14-12(13(18)19-8-20-14)22-15(23)25-16-21-10-5-4-9(17)7-11(10)24-16/h4-5,7-8H,2-3,6H2,1H3,(H2,18,19,20)
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n/an/an/an/a 7.00E+3n/an/a7.237



Conforma Therapeutics Corporation



Assay Description
EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...


J Med Chem 49: 5352-62 (2006)


Article DOI: 10.1021/jm051146h
BindingDB Entry DOI: 10.7270/Q26M354P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM20773
PNG
(2-{6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)sulf...)
Show SMILES Nc1ncnc2n(CCO)c(Sc3nc4cccc(Cl)c4s3)nc12
Show InChI InChI=1S/C14H11ClN6OS2/c15-7-2-1-3-8-10(7)23-14(19-8)24-13-20-9-11(16)17-6-18-12(9)21(13)4-5-22/h1-3,6,22H,4-5H2,(H2,16,17,18)
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n/an/an/an/a 300n/an/a7.237



Conforma Therapeutics Corporation



Assay Description
EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...


J Med Chem 49: 5352-62 (2006)


Article DOI: 10.1021/jm051146h
BindingDB Entry DOI: 10.7270/Q26M354P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM20778
PNG
(8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9-{2-...)
Show SMILES CC(C)(C)CNCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12
Show InChI InChI=1S/C19H22ClN7S2/c1-19(2,3)9-22-7-8-27-16-13(15(21)23-10-24-16)26-17(27)29-18-25-12-6-4-5-11(20)14(12)28-18/h4-6,10,22H,7-9H2,1-3H3,(H2,21,23,24)
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n/an/an/an/a 35n/an/an/an/a



Conforma Therapeutics Corporation



Assay Description
EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...


J Med Chem 49: 5352-62 (2006)


Article DOI: 10.1021/jm051146h
BindingDB Entry DOI: 10.7270/Q26M354P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM20780
PNG
(8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9-[3-...)
Show SMILES CC(C)NCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12
Show InChI InChI=1S/C18H20ClN7S2/c1-10(2)21-7-4-8-26-16-13(15(20)22-9-23-16)25-17(26)28-18-24-12-6-3-5-11(19)14(12)27-18/h3,5-6,9-10,21H,4,7-8H2,1-2H3,(H2,20,22,23)
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n/an/an/an/a 170n/an/an/an/a



Conforma Therapeutics Corporation



Assay Description
EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...


J Med Chem 49: 5352-62 (2006)


Article DOI: 10.1021/jm051146h
BindingDB Entry DOI: 10.7270/Q26M354P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM20764
PNG
(9-butyl-8-[(7-ethoxy-1,3-benzothiazol-2-yl)sulfany...)
Show SMILES CCCCn1c(Sc2nc3cccc(OCC)c3s2)nc2c(N)ncnc12
Show InChI InChI=1S/C18H20N6OS2/c1-3-5-9-24-16-13(15(19)20-10-21-16)23-17(24)27-18-22-11-7-6-8-12(25-4-2)14(11)26-18/h6-8,10H,3-5,9H2,1-2H3,(H2,19,20,21)
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n/an/an/an/a 1.00E+5n/an/a7.237



Conforma Therapeutics Corporation



Assay Description
EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...


J Med Chem 49: 5352-62 (2006)


Article DOI: 10.1021/jm051146h
BindingDB Entry DOI: 10.7270/Q26M354P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM20765
PNG
(8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9-eth...)
Show SMILES CCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12
Show InChI InChI=1S/C14H11ClN6S2/c1-2-21-12-9(11(16)17-6-18-12)20-13(21)23-14-19-8-5-3-4-7(15)10(8)22-14/h3-6H,2H2,1H3,(H2,16,17,18)
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n/an/an/an/a 200n/an/a7.237



Conforma Therapeutics Corporation



Assay Description
EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...


J Med Chem 49: 5352-62 (2006)


Article DOI: 10.1021/jm051146h
BindingDB Entry DOI: 10.7270/Q26M354P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM20768
PNG
(2-{6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)sulf...)
Show SMILES CC(=O)OCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12
Show InChI InChI=1S/C16H13ClN6O2S2/c1-8(24)25-6-5-23-14-11(13(18)19-7-20-14)22-15(23)27-16-21-10-4-2-3-9(17)12(10)26-16/h2-4,7H,5-6H2,1H3,(H2,18,19,20)
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n/an/an/an/a 150n/an/a7.237



Conforma Therapeutics Corporation



Assay Description
EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...


J Med Chem 49: 5352-62 (2006)


Article DOI: 10.1021/jm051146h
BindingDB Entry DOI: 10.7270/Q26M354P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM20783
PNG
(CHEMBL212133 | Pyridothiazole analogue, 27 | dieth...)
Show SMILES CCOP(=O)(CCn1c(Sc2nc3cncc(Br)c3s2)nc2c(N)ncnc12)OCC
Show InChI InChI=1S/C17H19BrN7O3PS2/c1-3-27-29(26,28-4-2)6-5-25-15-12(14(19)21-9-22-15)24-16(25)31-17-23-11-8-20-7-10(18)13(11)30-17/h7-9H,3-6H2,1-2H3,(H2,19,21,22)
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n/an/an/an/a 28n/an/an/an/a



Conforma Therapeutics Corporation



Assay Description
EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...


J Med Chem 49: 5352-62 (2006)


Article DOI: 10.1021/jm051146h
BindingDB Entry DOI: 10.7270/Q26M354P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM20784
PNG
(9-butyl-8-({7-chloropyrido[3,4-d][1,3]thiazol-2-yl...)
Show SMILES CCCCn1c(Sc2nc3cncc(Cl)c3s2)nc2c(N)ncnc12
Show InChI InChI=1S/C15H14ClN7S2/c1-2-3-4-23-13-10(12(17)19-7-20-13)22-14(23)25-15-21-9-6-18-5-8(16)11(9)24-15/h5-7H,2-4H2,1H3,(H2,17,19,20)
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n/an/an/an/a 280n/an/an/an/a



Conforma Therapeutics Corporation



Assay Description
EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...


J Med Chem 49: 5352-62 (2006)


Article DOI: 10.1021/jm051146h
BindingDB Entry DOI: 10.7270/Q26M354P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM20763
PNG
(9-butyl-8-[(7-methoxy-1,3-benzothiazol-2-yl)sulfan...)
Show SMILES CCCCn1c(Sc2nc3cccc(OC)c3s2)nc2c(N)ncnc12
Show InChI InChI=1S/C17H18N6OS2/c1-3-4-8-23-15-12(14(18)19-9-20-15)22-16(23)26-17-21-10-6-5-7-11(24-2)13(10)25-17/h5-7,9H,3-4,8H2,1-2H3,(H2,18,19,20)
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n/an/an/an/a 190n/an/a7.237



Conforma Therapeutics Corporation



Assay Description
EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...


J Med Chem 49: 5352-62 (2006)


Article DOI: 10.1021/jm051146h
BindingDB Entry DOI: 10.7270/Q26M354P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM20766
PNG
(8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9-pro...)
Show SMILES CCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12
Show InChI InChI=1S/C15H13ClN6S2/c1-2-6-22-13-10(12(17)18-7-19-13)21-14(22)24-15-20-9-5-3-4-8(16)11(9)23-15/h3-5,7H,2,6H2,1H3,(H2,17,18,19)
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n/an/an/an/a 250n/an/a7.237



Conforma Therapeutics Corporation



Assay Description
EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...


J Med Chem 49: 5352-62 (2006)


Article DOI: 10.1021/jm051146h
BindingDB Entry DOI: 10.7270/Q26M354P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM20772
PNG
(5-{6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)sulf...)
Show SMILES Nc1ncnc2n(CCCCC#N)c(Sc3nc4cccc(Cl)c4s3)nc12
Show InChI InChI=1S/C17H14ClN7S2/c18-10-5-4-6-11-13(10)26-17(23-11)27-16-24-12-14(20)21-9-22-15(12)25(16)8-3-1-2-7-19/h4-6,9H,1-3,8H2,(H2,20,21,22)
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n/an/an/an/a 110n/an/a7.237



Conforma Therapeutics Corporation



Assay Description
EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...


J Med Chem 49: 5352-62 (2006)


Article DOI: 10.1021/jm051146h
BindingDB Entry DOI: 10.7270/Q26M354P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM20775
PNG
(4-{6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)sulf...)
Show SMILES Nc1ncnc2n(CCCCO)c(Sc3nc4cccc(Cl)c4s3)nc12
Show InChI InChI=1S/C16H15ClN6OS2/c17-9-4-3-5-10-12(9)25-16(21-10)26-15-22-11-13(18)19-8-20-14(11)23(15)6-1-2-7-24/h3-5,8,24H,1-2,6-7H2,(H2,18,19,20)
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n/an/an/an/a 150n/an/a7.237



Conforma Therapeutics Corporation



Assay Description
EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...


J Med Chem 49: 5352-62 (2006)


Article DOI: 10.1021/jm051146h
BindingDB Entry DOI: 10.7270/Q26M354P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM20785
PNG
(CHEMBL212850 | Pyridothiazole analogue, 29 | dieth...)
Show SMILES CCOP(=O)(CCn1c(Sc2nc3cncc(Cl)c3s2)nc2c(N)ncnc12)OCC
Show InChI InChI=1S/C17H19ClN7O3PS2/c1-3-27-29(26,28-4-2)6-5-25-15-12(14(19)21-9-22-15)24-16(25)31-17-23-11-8-20-7-10(18)13(11)30-17/h7-9H,3-6H2,1-2H3,(H2,19,21,22)
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n/an/an/an/a 30n/an/an/an/a



Conforma Therapeutics Corporation



Assay Description
EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...


J Med Chem 49: 5352-62 (2006)


Article DOI: 10.1021/jm051146h
BindingDB Entry DOI: 10.7270/Q26M354P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM20755
PNG
(9-butyl-8-[(5-chloro-1,3-benzothiazol-2-yl)sulfany...)
Show SMILES CCCCn1c(Sc2nc3cc(Cl)ccc3s2)nc2c(N)ncnc12
Show InChI InChI=1S/C16H15ClN6S2/c1-2-3-6-23-14-12(13(18)19-8-20-14)22-15(23)25-16-21-10-7-9(17)4-5-11(10)24-16/h4-5,7-8H,2-3,6H2,1H3,(H2,18,19,20)
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n/an/an/an/a 2.00E+4n/an/a7.237



Conforma Therapeutics Corporation



Assay Description
EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...


J Med Chem 49: 5352-62 (2006)


Article DOI: 10.1021/jm051146h
BindingDB Entry DOI: 10.7270/Q26M354P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM20769
PNG
(3-{6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)sulf...)
Show SMILES CC(=O)OCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12
Show InChI InChI=1S/C17H15ClN6O2S2/c1-9(25)26-7-3-6-24-15-12(14(19)20-8-21-15)23-16(24)28-17-22-11-5-2-4-10(18)13(11)27-17/h2,4-5,8H,3,6-7H2,1H3,(H2,19,20,21)
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n/an/an/an/a 90n/an/a7.237



Conforma Therapeutics Corporation



Assay Description
EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...


J Med Chem 49: 5352-62 (2006)


Article DOI: 10.1021/jm051146h
BindingDB Entry DOI: 10.7270/Q26M354P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM20770
PNG
(4-{6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)sulf...)
Show SMILES CC(=O)OCCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12
Show InChI InChI=1S/C18H17ClN6O2S2/c1-10(26)27-8-3-2-7-25-16-13(15(20)21-9-22-16)24-17(25)29-18-23-12-6-4-5-11(19)14(12)28-18/h4-6,9H,2-3,7-8H2,1H3,(H2,20,21,22)
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n/an/an/an/a 130n/an/a7.237



Conforma Therapeutics Corporation



Assay Description
EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...


J Med Chem 49: 5352-62 (2006)


Article DOI: 10.1021/jm051146h
BindingDB Entry DOI: 10.7270/Q26M354P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM20774
PNG
(3-{6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)sulf...)
Show SMILES Nc1ncnc2n(CCCO)c(Sc3nc4cccc(Cl)c4s3)nc12
Show InChI InChI=1S/C15H13ClN6OS2/c16-8-3-1-4-9-11(8)24-15(20-9)25-14-21-10-12(17)18-7-19-13(10)22(14)5-2-6-23/h1,3-4,7,23H,2,5-6H2,(H2,17,18,19)
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n/an/an/an/a 150n/an/a7.237



Conforma Therapeutics Corporation



Assay Description
EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...


J Med Chem 49: 5352-62 (2006)


Article DOI: 10.1021/jm051146h
BindingDB Entry DOI: 10.7270/Q26M354P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM20776
PNG
(8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9-[2-...)
Show SMILES Nc1ncnc2n(CCN3CCOCC3)c(Sc3nc4cccc(Cl)c4s3)nc12
Show InChI InChI=1S/C18H18ClN7OS2/c19-11-2-1-3-12-14(11)28-18(23-12)29-17-24-13-15(20)21-10-22-16(13)26(17)5-4-25-6-8-27-9-7-25/h1-3,10H,4-9H2,(H2,20,21,22)
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n/an/an/an/a 250n/an/a7.237



Conforma Therapeutics Corporation



Assay Description
EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...


J Med Chem 49: 5352-62 (2006)


Article DOI: 10.1021/jm051146h
BindingDB Entry DOI: 10.7270/Q26M354P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM20758
PNG
(9-butyl-8-[(7-chloro-1,3-benzothiazol-2-yl)sulfany...)
Show SMILES CCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12
Show InChI InChI=1S/C16H15ClN6S2/c1-2-3-7-23-14-11(13(18)19-8-20-14)22-15(23)25-16-21-10-6-4-5-9(17)12(10)24-16/h4-6,8H,2-3,7H2,1H3,(H2,18,19,20)
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n/an/an/an/a 180n/an/a7.237



Conforma Therapeutics Corporation



Assay Description
EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...


J Med Chem 49: 5352-62 (2006)


Article DOI: 10.1021/jm051146h
BindingDB Entry DOI: 10.7270/Q26M354P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM20760
PNG
(9-butyl-8-[(7-fluoro-1,3-benzothiazol-2-yl)sulfany...)
Show SMILES CCCCn1c(Sc2nc3cccc(F)c3s2)nc2c(N)ncnc12
Show InChI InChI=1S/C16H15FN6S2/c1-2-3-7-23-14-11(13(18)19-8-20-14)22-15(23)25-16-21-10-6-4-5-9(17)12(10)24-16/h4-6,8H,2-3,7H2,1H3,(H2,18,19,20)
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n/an/an/an/a 200n/an/a7.237



Conforma Therapeutics Corporation



Assay Description
EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...


J Med Chem 49: 5352-62 (2006)


Article DOI: 10.1021/jm051146h
BindingDB Entry DOI: 10.7270/Q26M354P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM20779
PNG
(8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9-[2-...)
Show SMILES Nc1ncnc2n(CCNC3CC3)c(Sc3nc4cccc(Cl)c4s3)nc12
Show InChI InChI=1S/C17H16ClN7S2/c18-10-2-1-3-11-13(10)26-17(23-11)27-16-24-12-14(19)21-8-22-15(12)25(16)7-6-20-9-4-5-9/h1-3,8-9,20H,4-7H2,(H2,19,21,22)
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n/an/an/an/a 110n/an/an/an/a



Conforma Therapeutics Corporation



Assay Description
EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...


J Med Chem 49: 5352-62 (2006)


Article DOI: 10.1021/jm051146h
BindingDB Entry DOI: 10.7270/Q26M354P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM20781
PNG
(9-[3-(tert-butylamino)propyl]-8-[(7-chloro-1,3-ben...)
Show SMILES CC(C)(C)NCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12
Show InChI InChI=1S/C19H22ClN7S2/c1-19(2,3)24-8-5-9-27-16-13(15(21)22-10-23-16)26-17(27)29-18-25-12-7-4-6-11(20)14(12)28-18/h4,6-7,10,24H,5,8-9H2,1-3H3,(H2,21,22,23)
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n/an/an/an/a 150n/an/an/an/a



Conforma Therapeutics Corporation



Assay Description
EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...


J Med Chem 49: 5352-62 (2006)


Article DOI: 10.1021/jm051146h
BindingDB Entry DOI: 10.7270/Q26M354P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM20786
PNG
(3-[6-amino-8-({7-chloropyrido[3,4-d][1,3]thiazol-2...)
Show SMILES CC(=O)OCCCn1c(Sc2nc3cncc(Cl)c3s2)nc2c(N)ncnc12
Show InChI InChI=1S/C16H14ClN7O2S2/c1-8(25)26-4-2-3-24-14-11(13(18)20-7-21-14)23-15(24)28-16-22-10-6-19-5-9(17)12(10)27-16/h5-7H,2-4H2,1H3,(H2,18,20,21)
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n/an/an/an/a 170n/an/an/an/a



Conforma Therapeutics Corporation



Assay Description
EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...


J Med Chem 49: 5352-62 (2006)


Article DOI: 10.1021/jm051146h
BindingDB Entry DOI: 10.7270/Q26M354P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM20754
PNG
(8-(1,3-benzothiazol-2-ylsulfanyl)-9-butyl-9H-purin...)
Show SMILES CCCCn1c(Sc2nc3ccccc3s2)nc2c(N)ncnc12
Show InChI InChI=1S/C16H16N6S2/c1-2-3-8-22-14-12(13(17)18-9-19-14)21-15(22)24-16-20-10-6-4-5-7-11(10)23-16/h4-7,9H,2-3,8H2,1H3,(H2,17,18,19)
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n/an/an/an/a 5.00E+3n/an/a7.237



Conforma Therapeutics Corporation



Assay Description
EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...


J Med Chem 49: 5352-62 (2006)


Article DOI: 10.1021/jm051146h
BindingDB Entry DOI: 10.7270/Q26M354P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM20759
PNG
(8-[(7-bromo-1,3-benzothiazol-2-yl)sulfanyl]-9-buty...)
Show SMILES CCCCn1c(Sc2nc3cccc(Br)c3s2)nc2c(N)ncnc12
Show InChI InChI=1S/C16H15BrN6S2/c1-2-3-7-23-14-11(13(18)19-8-20-14)22-15(23)25-16-21-10-6-4-5-9(17)12(10)24-16/h4-6,8H,2-3,7H2,1H3,(H2,18,19,20)
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n/an/an/an/a 330n/an/a7.237



Conforma Therapeutics Corporation



Assay Description
EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...


J Med Chem 49: 5352-62 (2006)


Article DOI: 10.1021/jm051146h
BindingDB Entry DOI: 10.7270/Q26M354P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM20771
PNG
(Benzothiazole analogue, 24 | CHEMBL377371 | diethy...)
Show SMILES CCOP(=O)(CCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12)OCC
Show InChI InChI=1S/C18H20ClN6O3PS2/c1-3-27-29(26,28-4-2)9-8-25-16-13(15(20)21-10-22-16)24-17(25)31-18-23-12-7-5-6-11(19)14(12)30-18/h5-7,10H,3-4,8-9H2,1-2H3,(H2,20,21,22)
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n/an/an/an/a 30n/an/a7.237



Conforma Therapeutics Corporation



Assay Description
EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...


J Med Chem 49: 5352-62 (2006)


Article DOI: 10.1021/jm051146h
BindingDB Entry DOI: 10.7270/Q26M354P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM20777
PNG
(9-[2-(tert-butylamino)ethyl]-8-[(7-chloro-1,3-benz...)
Show SMILES CC(C)(C)NCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12
Show InChI InChI=1S/C18H20ClN7S2/c1-18(2,3)23-7-8-26-15-12(14(20)21-9-22-15)25-16(26)28-17-24-11-6-4-5-10(19)13(11)27-17/h4-6,9,23H,7-8H2,1-3H3,(H2,20,21,22)
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n/an/an/an/a 140n/an/an/an/a



Conforma Therapeutics Corporation



Assay Description
EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...


J Med Chem 49: 5352-62 (2006)


Article DOI: 10.1021/jm051146h
BindingDB Entry DOI: 10.7270/Q26M354P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM20762
PNG
(9-butyl-8-[(6,7-dichloro-1,3-benzothiazol-2-yl)sul...)
Show SMILES CCCCn1c(Sc2nc3ccc(Cl)c(Cl)c3s2)nc2c(N)ncnc12
Show InChI InChI=1S/C16H14Cl2N6S2/c1-2-3-6-24-14-11(13(19)20-7-21-14)23-15(24)26-16-22-9-5-4-8(17)10(18)12(9)25-16/h4-5,7H,2-3,6H2,1H3,(H2,19,20,21)
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n/an/an/an/a 2.50E+4n/an/a7.237



Conforma Therapeutics Corporation



Assay Description
EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...


J Med Chem 49: 5352-62 (2006)


Article DOI: 10.1021/jm051146h
BindingDB Entry DOI: 10.7270/Q26M354P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%