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7 similar compounds to monomer 50031734

Compile data set for download or QSAR
Wt: 391.4
BDBM50031733
Wt: 365.3
BDBM50031729
Wt: 393.4
BDBM50031730
Wt: 391.4
BDBM50031731
Wt: 379.3
BDBM50031732
Wt: 379.3
BDBM50031735
Purchase
Wt: 361.3
BDBM50031736

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50031733,50031729,50031730,50031731,50031732,50031735,50031736   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50031729
PNG
(CHEMBL3360311)
Show SMILES Cc1nc(N)nc2C[C@@H](NC(=O)c12)c1ccc(F)cc1-c1cccc(O)n1
Show InChI InChI=1S/C19H16FN5O2/c1-9-17-15(25-19(21)22-9)8-14(24-18(17)27)11-6-5-10(20)7-12(11)13-3-2-4-16(26)23-13/h2-7,14H,8H2,1H3,(H,23,26)(H,24,27)(H2,21,22,25)/t14-/m1/s1
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n/an/a 9.80E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged HSP90-alpha (unknown origin) after 2 hrs by spectrophotometry


J Med Chem 57: 9124-9 (2014)


Article DOI: 10.1021/jm501107q
BindingDB Entry DOI: 10.7270/Q2M90B81
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50031730
PNG
(CHEMBL3360310)
Show SMILES CCOc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1
Show InChI InChI=1S/C21H20FN5O2/c1-3-29-18-6-4-5-15(25-18)14-9-12(22)7-8-13(14)16-10-17-19(20(28)26-16)11(2)24-21(23)27-17/h4-9,16H,3,10H2,1-2H3,(H,26,28)(H2,23,24,27)/t16-/m1/s1
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n/an/a 56n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged HSP90-alpha (unknown origin) after 2 hrs by spectrophotometry


J Med Chem 57: 9124-9 (2014)


Article DOI: 10.1021/jm501107q
BindingDB Entry DOI: 10.7270/Q2M90B81
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50031731
PNG
(CHEMBL3360309)
Show SMILES COc1ccc(-c2cccc(OC)n2)c(c1)[C@H]1Cc2nc(N)nc(C)c2C(=O)N1
Show InChI InChI=1S/C21H21N5O3/c1-11-19-17(26-21(22)23-11)10-16(25-20(19)27)14-9-12(28-2)7-8-13(14)15-5-4-6-18(24-15)29-3/h4-9,16H,10H2,1-3H3,(H,25,27)(H2,22,23,26)/t16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged HSP90-alpha (unknown origin) after 2 hrs by spectrophotometry


J Med Chem 57: 9124-9 (2014)


Article DOI: 10.1021/jm501107q
BindingDB Entry DOI: 10.7270/Q2M90B81
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50031736
PNG
(CHEMBL3360304)
Show SMILES COc1cccc(n1)-c1ccccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1
Show InChI InChI=1S/C20H19N5O2/c1-11-18-16(25-20(21)22-11)10-15(24-19(18)26)13-7-4-3-6-12(13)14-8-5-9-17(23-14)27-2/h3-9,15H,10H2,1-2H3,(H,24,26)(H2,21,22,25)/t15-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged HSP90-alpha (unknown origin) after 2 hrs by spectrophotometry


J Med Chem 57: 9124-9 (2014)


Article DOI: 10.1021/jm501107q
BindingDB Entry DOI: 10.7270/Q2M90B81
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50031733
PNG
(CHEMBL3360307)
Show SMILES COc1ccc([C@H]2Cc3nc(N)nc(C)c3C(=O)N2)c(c1)-c1cccc(OC)n1
Show InChI InChI=1S/C21H21N5O3/c1-11-19-17(26-21(22)23-11)10-16(25-20(19)27)13-8-7-12(28-2)9-14(13)15-5-4-6-18(24-15)29-3/h4-9,16H,10H2,1-3H3,(H,25,27)(H2,22,23,26)/t16-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged HSP90-alpha (unknown origin) after 2 hrs by spectrophotometry


J Med Chem 57: 9124-9 (2014)


Article DOI: 10.1021/jm501107q
BindingDB Entry DOI: 10.7270/Q2M90B81
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50031735
PNG
(CHEMBL3360305)
Show SMILES COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1
Show InChI InChI=1S/C20H18FN5O2/c1-10-18-16(26-20(22)23-10)9-15(25-19(18)27)12-7-6-11(21)8-13(12)14-4-3-5-17(24-14)28-2/h3-8,15H,9H2,1-2H3,(H,25,27)(H2,22,23,26)/t15-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged HSP90-alpha (unknown origin) after 2 hrs by spectrophotometry


J Med Chem 57: 9124-9 (2014)


Article DOI: 10.1021/jm501107q
BindingDB Entry DOI: 10.7270/Q2M90B81
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50031732
PNG
(CHEMBL3360308)
Show SMILES COc1cccc(n1)-c1ccc(F)cc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1
Show InChI InChI=1S/C20H18FN5O2/c1-10-18-16(26-20(22)23-10)9-15(25-19(18)27)13-8-11(21)6-7-12(13)14-4-3-5-17(24-14)28-2/h3-8,15H,9H2,1-2H3,(H,25,27)(H2,22,23,26)/t15-/m1/s1
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n/an/a 37n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged HSP90-alpha (unknown origin) after 2 hrs by spectrophotometry


J Med Chem 57: 9124-9 (2014)


Article DOI: 10.1021/jm501107q
BindingDB Entry DOI: 10.7270/Q2M90B81
More data for this
Ligand-Target Pair