Found 136 hits Enz. Inhib. hit(s) with all data for entry = 50016125 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165272
(8-(6-Bromo-benzo[1,3]dioxol-5-ylsulfanyl)-9-pent-4...)Show InChI InChI=1S/C17H14BrN5O2S/c1-2-3-4-5-23-16-14(15(19)20-8-21-16)22-17(23)26-13-7-12-11(6-10(13)18)24-9-25-12/h1,6-8H,3-5,9H2,(H2,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM20745
(8-Sulfanyladenine | 8-[(2-iodo-5-methoxyphenyl)sul...)Show InChI InChI=1S/C17H16IN5OS/c1-3-4-5-8-23-16-14(15(19)20-10-21-16)22-17(23)25-13-9-11(24-2)6-7-12(13)18/h1,6-7,9-10H,4-5,8H2,2H3,(H2,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 810 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165281
(8-(2-Chloro-3,4,5-trimethoxy-phenylsulfanyl)-2-flu...)Show SMILES COc1cc(Sc2nc3c(N)nc(F)nc3n2CCCC#C)c(Cl)c(OC)c1OC Show InChI InChI=1S/C19H19ClFN5O3S/c1-5-6-7-8-26-17-13(16(22)24-18(21)25-17)23-19(26)30-11-9-10(27-2)14(28-3)15(29-4)12(11)20/h1,9H,6-8H2,2-4H3,(H2,22,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165274
(8-(2-Bromo-5-methoxy-phenylsulfanyl)-9-pent-4-ynyl...)Show InChI InChI=1S/C17H16BrN5OS/c1-3-4-5-8-23-16-14(15(19)20-10-21-16)22-17(23)25-13-9-11(24-2)6-7-12(13)18/h1,6-7,9-10H,4-5,8H2,2H3,(H2,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM15381
(8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pen...)Show SMILES COc1cc(Cc2nc3c(N)nc(F)nc3n2CCCC#C)c(Cl)c(OC)c1OC Show InChI InChI=1S/C20H21ClFN5O3/c1-5-6-7-8-27-13(24-15-18(23)25-20(22)26-19(15)27)10-11-9-12(28-2)16(29-3)17(30-4)14(11)21/h1,9H,6-8,10H2,2-4H3,(H2,23,25,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165264
(8-(2-Chloro-3,4,5-trimethoxy-phenylsulfanyl)-2-flu...)Show SMILES COc1cc(Sc2nc3c(N)nc(F)nc3n2CCOC(C)C)c(Cl)c(OC)c1OC Show InChI InChI=1S/C19H23ClFN5O4S/c1-9(2)30-7-6-26-17-13(16(22)24-18(21)25-17)23-19(26)31-11-8-10(27-3)14(28-4)15(29-5)12(11)20/h8-9H,6-7H2,1-5H3,(H2,22,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165279
(8-(2,5-Dimethoxy-phenylsulfanyl)-9-pent-4-ynyl-9H-...)Show InChI InChI=1S/C18H19N5O2S/c1-4-5-6-9-23-17-15(16(19)20-11-21-17)22-18(23)26-14-10-12(24-2)7-8-13(14)25-3/h1,7-8,10-11H,5-6,9H2,2-3H3,(H2,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165276
(8-(2-Chloro-5-methoxy-phenylsulfanyl)-9-pent-4-yny...)Show InChI InChI=1S/C17H16ClN5OS/c1-3-4-5-8-23-16-14(15(19)20-10-21-16)22-17(23)25-13-9-11(24-2)6-7-12(13)18/h1,6-7,9-10H,4-5,8H2,2H3,(H2,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165293
(8-(2-Chloro-3,4,5-trimethoxy-phenylsulfanyl)-9-pen...)Show SMILES COc1cc(Sc2nc3c(N)ncnc3n2CCCC#C)c(Cl)c(OC)c1OC Show InChI InChI=1S/C19H20ClN5O3S/c1-5-6-7-8-25-18-14(17(21)22-10-23-18)24-19(25)29-12-9-11(26-2)15(27-3)16(28-4)13(12)20/h1,9-10H,6-8H2,2-4H3,(H2,21,22,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165270
(2-Fluoro-9-pent-4-ynyl-8-(3,4,5-trimethoxy-benzyl)...)Show SMILES COc1cc(Cc2nc3c(N)nc(F)nc3n2CCCC#C)cc(OC)c1OC Show InChI InChI=1S/C20H22FN5O3/c1-5-6-7-8-26-15(23-16-18(22)24-20(21)25-19(16)26)11-12-9-13(27-2)17(29-4)14(10-12)28-3/h1,9-10H,6-8,11H2,2-4H3,(H2,22,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165308
(9-Butyl-8-(2-chloro-3,4,5-trimethoxy-benzenesulfon...)Show SMILES CCCCn1c(nc2c(N)ncnc12)S(=O)(=O)c1cc(OC)c(OC)c(OC)c1Cl Show InChI InChI=1S/C18H22ClN5O5S/c1-5-6-7-24-17-13(16(20)21-9-22-17)23-18(24)30(25,26)11-8-10(27-2)14(28-3)15(29-4)12(11)19/h8-9H,5-7H2,1-4H3,(H2,20,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165267
(8-(2,6-Dichloro-3,4,5-trimethoxy-phenylsulfanyl)-9...)Show SMILES COc1c(Cl)c(Sc2nc3c(N)ncnc3n2CCOC(C)C)c(Cl)c(OC)c1OC Show InChI InChI=1S/C19H23Cl2N5O4S/c1-9(2)30-7-6-26-18-12(17(22)23-8-24-18)25-19(26)31-16-10(20)13(27-3)15(29-5)14(28-4)11(16)21/h8-9H,6-7H2,1-5H3,(H2,22,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165297
(8-(3,4,5-trimethoxybenzyl)-9-(pent-4-ynyl)-9H-puri...)Show InChI InChI=1S/C20H23N5O3/c1-5-6-7-8-25-16(24-17-19(21)22-12-23-20(17)25)11-13-9-14(26-2)18(28-4)15(10-13)27-3/h1,9-10,12H,6-8,11H2,2-4H3,(H2,21,22,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165273
(2-Fluoro-9-pent-4-ynyl-8-(3,4,5-trimethoxy-phenyls...)Show SMILES COc1cc(Sc2nc3c(N)nc(F)nc3n2CCCC#C)cc(OC)c1OC Show InChI InChI=1S/C19H20FN5O3S/c1-5-6-7-8-25-17-14(16(21)23-18(20)24-17)22-19(25)29-11-9-12(26-2)15(28-4)13(10-11)27-3/h1,9-10H,6-8H2,2-4H3,(H2,21,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165299
(9-Pent-4-ynyl-8-(3,4,5-trimethoxy-phenylsulfanyl)-...)Show InChI InChI=1S/C19H21N5O3S/c1-5-6-7-8-24-18-15(17(20)21-11-22-18)23-19(24)28-12-9-13(25-2)16(27-4)14(10-12)26-3/h1,9-11H,6-8H2,2-4H3,(H2,20,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165303
(9-Butyl-8-(2-chloro-3,4,5-trimethoxy-phenylsulfany...)Show SMILES CCCCn1c(Sc2cc(OC)c(OC)c(OC)c2Cl)nc2c(N)ncnc12 Show InChI InChI=1S/C18H22ClN5O3S/c1-5-6-7-24-17-13(16(20)21-9-22-17)23-18(24)28-11-8-10(25-2)14(26-3)15(27-4)12(11)19/h8-9H,5-7H2,1-4H3,(H2,20,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165288
(2-Fluoro-9-(2-isopropoxy-ethyl)-8-(3,4,5-trimethox...)Show SMILES COc1cc(Sc2nc3c(N)nc(F)nc3n2CCOC(C)C)cc(OC)c1OC Show InChI InChI=1S/C19H24FN5O4S/c1-10(2)29-7-6-25-17-14(16(21)23-18(20)24-17)22-19(25)30-11-8-12(26-3)15(28-5)13(9-11)27-4/h8-10H,6-7H2,1-5H3,(H2,21,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165310
(9-Butyl-8-(2-chloro-3,4,5-trimethoxy-phenylsulfany...)Show SMILES CCCCn1c(Sc2cc(OC)c(OC)c(OC)c2Cl)nc2c(N)nc(F)nc12 Show InChI InChI=1S/C18H21ClFN5O3S/c1-5-6-7-25-16-12(15(21)23-17(20)24-16)22-18(25)29-10-8-9(26-2)13(27-3)14(28-4)11(10)19/h8H,5-7H2,1-4H3,(H2,21,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.63E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165282
(8-(2,5-Dichloro-phenylsulfanyl)-9-pent-4-ynyl-9H-p...)Show InChI InChI=1S/C16H13Cl2N5S/c1-2-3-4-7-23-15-13(14(19)20-9-21-15)22-16(23)24-12-8-10(17)5-6-11(12)18/h1,5-6,8-9H,3-4,7H2,(H2,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165291
(8-(3-Methoxy-phenylsulfanyl)-9-pent-4-ynyl-9H-puri...)Show InChI InChI=1S/C17H17N5OS/c1-3-4-5-9-22-16-14(15(18)19-11-20-16)21-17(22)24-13-8-6-7-12(10-13)23-2/h1,6-8,10-11H,4-5,9H2,2H3,(H2,18,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165283
(9-(2-Isopropoxy-ethyl)-8-(3,4,5-trimethoxy-benzyl)...)Show SMILES COc1cc(Cc2nc3c(N)ncnc3n2CCOC(C)C)cc(OC)c1OC Show InChI InChI=1S/C20H27N5O4/c1-12(2)29-7-6-25-16(24-17-19(21)22-11-23-20(17)25)10-13-8-14(26-3)18(28-5)15(9-13)27-4/h8-9,11-12H,6-7,10H2,1-5H3,(H2,21,22,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.87E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165306
(8-(3-Methoxy-benzenesulfinyl)-9-pent-4-ynyl-9H-pur...)Show InChI InChI=1S/C17H17N5O2S/c1-3-4-5-9-22-16-14(15(18)19-11-20-16)21-17(22)25(23)13-8-6-7-12(10-13)24-2/h1,6-8,10-11H,4-5,9H2,2H3,(H2,18,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.18E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165265
(8-(2-Chloro-5-trifluoromethyl-phenylsulfanyl)-9-pe...)Show SMILES Nc1ncnc2n(CCCC#C)c(Sc3cc(ccc3Cl)C(F)(F)F)nc12 Show InChI InChI=1S/C17H13ClF3N5S/c1-2-3-4-7-26-15-13(14(22)23-9-24-15)25-16(26)27-12-8-10(17(19,20)21)5-6-11(12)18/h1,5-6,8-9H,3-4,7H2,(H2,22,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165286
(8-(2,4-Dimethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-p...)Show InChI InChI=1S/C18H19N5S/c1-4-5-6-9-23-17-15(16(19)20-11-21-17)22-18(23)24-14-8-7-12(2)10-13(14)3/h1,7-8,10-11H,5-6,9H2,2-3H3,(H2,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.92E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165305
(9-(2-Isopropoxy-ethyl)-8-(3,4,5-trimethoxy-benzene...)Show SMILES COc1cc(cc(OC)c1OC)S(=O)c1nc2c(N)ncnc2n1CCOC(C)C Show InChI InChI=1S/C19H25N5O5S/c1-11(2)29-7-6-24-18-15(17(20)21-10-22-18)23-19(24)30(25)12-8-13(26-3)16(28-5)14(9-12)27-4/h8-11H,6-7H2,1-5H3,(H2,20,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.39E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165298
(8-(4-Chloro-phenylsulfanyl)-9-pent-4-ynyl-9H-purin...)Show InChI InChI=1S/C16H14ClN5S/c1-2-3-4-9-22-15-13(14(18)19-10-20-15)21-16(22)23-12-7-5-11(17)6-8-12/h1,5-8,10H,3-4,9H2,(H2,18,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165312
(9-(2-Isopropoxy-ethyl)-8-(3-methoxy-phenylsulfanyl...)Show InChI InChI=1S/C17H21N5O2S/c1-11(2)24-8-7-22-16-14(15(18)19-10-20-16)21-17(22)25-13-6-4-5-12(9-13)23-3/h4-6,9-11H,7-8H2,1-3H3,(H2,18,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.76E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165287
(8-(2,4,5-Trichloro-phenylsulfanyl)-9H-purin-6-ylam...)Show InChI InChI=1S/C11H6Cl3N5S/c12-4-1-6(14)7(2-5(4)13)20-11-18-8-9(15)16-3-17-10(8)19-11/h1-3H,(H3,15,16,17,18,19) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.78E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165271
(9-Butyl-8-(3-methoxy-phenylsulfanyl)-9H-purin-6-yl...)Show InChI InChI=1S/C16H19N5OS/c1-3-4-8-21-15-13(14(17)18-10-19-15)20-16(21)23-12-7-5-6-11(9-12)22-2/h5-7,9-10H,3-4,8H2,1-2H3,(H2,17,18,19) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.37E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165289
(9-Butyl-8-(3-methoxy-benzenesulfinyl)-9H-purin-6-y...)Show InChI InChI=1S/C16H19N5O2S/c1-3-4-8-21-15-13(14(17)18-10-19-15)20-16(21)24(22)12-7-5-6-11(9-12)23-2/h5-7,9-10H,3-4,8H2,1-2H3,(H2,17,18,19) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.72E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165315
(9-Pent-4-ynyl-8-(2,4,5-trichloro-phenylsulfanyl)-9...)Show SMILES Nc1ncnc2n(CCCC#C)c(Sc3cc(Cl)c(Cl)cc3Cl)nc12 Show InChI InChI=1S/C16H12Cl3N5S/c1-2-3-4-5-24-15-13(14(20)21-8-22-15)23-16(24)25-12-7-10(18)9(17)6-11(12)19/h1,6-8H,3-5H2,(H2,20,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165313
(8-(2,4-Dichloro-5-methoxy-phenylsulfanyl)-9-(2-iso...)Show SMILES COc1cc(Sc2nc3c(N)ncnc3n2CCOC(C)C)c(Cl)cc1Cl Show InChI InChI=1S/C17H19Cl2N5O2S/c1-9(2)26-5-4-24-16-14(15(20)21-8-22-16)23-17(24)27-13-7-12(25-3)10(18)6-11(13)19/h6-9H,4-5H2,1-3H3,(H2,20,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165268
(8-(3,5-Dichloro-phenylsulfanyl)-9-pent-4-ynyl-9H-p...)Show InChI InChI=1S/C16H13Cl2N5S/c1-2-3-4-5-23-15-13(14(19)20-9-21-15)22-16(23)24-12-7-10(17)6-11(18)8-12/h1,6-9H,3-5H2,(H2,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165301
(9-(2-Isopropoxy-ethyl)-8-(3,4,5-trimethoxy-phenyls...)Show SMILES COc1cc(Sc2nc3c(N)ncnc3n2CCOC(C)C)cc(OC)c1OC Show InChI InChI=1S/C19H25N5O4S/c1-11(2)28-7-6-24-18-15(17(20)21-10-22-18)23-19(24)29-12-8-13(25-3)16(27-5)14(9-12)26-4/h8-11H,6-7H2,1-5H3,(H2,20,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.53E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165284
(9-(2-Isopropoxy-ethyl)-8-(3-methoxy-benzenesulfiny...)Show InChI InChI=1S/C17H21N5O3S/c1-11(2)25-8-7-22-16-14(15(18)19-10-20-16)21-17(22)26(23)13-6-4-5-12(9-13)24-3/h4-6,9-11H,7-8H2,1-3H3,(H2,18,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165302
(8-(4-Methoxy-phenylsulfanyl)-9-pent-4-ynyl-9H-puri...)Show InChI InChI=1S/C17H17N5OS/c1-3-4-5-10-22-16-14(15(18)19-11-20-16)21-17(22)24-13-8-6-12(23-2)7-9-13/h1,6-9,11H,4-5,10H2,2H3,(H2,18,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165318
(9-Butyl-8-(3,4,5-trimethoxy-phenylsulfanyl)-9H-pur...)Show SMILES CCCCn1c(Sc2cc(OC)c(OC)c(OC)c2)nc2c(N)ncnc12 Show InChI InChI=1S/C18H23N5O3S/c1-5-6-7-23-17-14(16(19)20-10-21-17)22-18(23)27-11-8-12(24-2)15(26-4)13(9-11)25-3/h8-10H,5-7H2,1-4H3,(H2,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.85E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165278
(9-Pent-4-ynyl-8-(2-trifluoromethoxy-phenylsulfanyl...)Show InChI InChI=1S/C17H14F3N5OS/c1-2-3-6-9-25-15-13(14(21)22-10-23-15)24-16(25)27-12-8-5-4-7-11(12)26-17(18,19)20/h1,4-5,7-8,10H,3,6,9H2,(H2,21,22,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165292
(8-(2-Iodo-3,4,5-trimethoxy-phenylsulfanyl)-9-pent-...)Show SMILES COc1cc(Sc2nc3c(N)ncnc3n2CCCC#C)c(I)c(OC)c1OC Show InChI InChI=1S/C19H20IN5O3S/c1-5-6-7-8-25-18-14(17(21)22-10-23-18)24-19(25)29-12-9-11(26-2)15(27-3)16(28-4)13(12)20/h1,9-10H,6-8H2,2-4H3,(H2,21,22,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165319
(8-(3,5-Dimethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-p...)Show InChI InChI=1S/C18H19N5S/c1-4-5-6-7-23-17-15(16(19)20-11-21-17)22-18(23)24-14-9-12(2)8-13(3)10-14/h1,8-11H,5-7H2,2-3H3,(H2,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165280
(9-Pent-4-ynyl-8-(3,4,5-trimethoxy-benzenesulfonyl)...)Show SMILES COc1cc(cc(OC)c1OC)S(=O)(=O)c1nc2c(N)ncnc2n1CCCC#C Show InChI InChI=1S/C19H21N5O5S/c1-5-6-7-8-24-18-15(17(20)21-11-22-18)23-19(24)30(25,26)12-9-13(27-2)16(29-4)14(10-12)28-3/h1,9-11H,6-8H2,2-4H3,(H2,20,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.05E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165269
(9-Butyl-8-(3,4,5-trimethoxy-benzenesulfinyl)-9H-pu...)Show SMILES CCCCn1c(nc2c(N)ncnc12)S(=O)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C18H23N5O4S/c1-5-6-7-23-17-14(16(19)20-10-21-17)22-18(23)28(24)11-8-12(25-2)15(27-4)13(9-11)26-3/h8-10H,5-7H2,1-4H3,(H2,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165314
(8-(2,5-Dichloro-phenylsulfanyl)-9H-purin-6-ylamine...)Show InChI InChI=1S/C11H7Cl2N5S/c12-5-1-2-6(13)7(3-5)19-11-17-8-9(14)15-4-16-10(8)18-11/h1-4H,(H3,14,15,16,17,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.22E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165311
(9-Butyl-8-(3-methoxy-benzenesulfonyl)-9H-purin-6-y...)Show SMILES CCCCn1c(nc2c(N)ncnc12)S(=O)(=O)c1cccc(OC)c1 Show InChI InChI=1S/C16H19N5O3S/c1-3-4-8-21-15-13(14(17)18-10-19-15)20-16(21)25(22,23)12-7-5-6-11(9-12)24-2/h5-7,9-10H,3-4,8H2,1-2H3,(H2,17,18,19) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.25E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165300
(8-(2,5-Dimethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-p...)Show InChI InChI=1S/C18H19N5S/c1-4-5-6-9-23-17-15(16(19)20-11-21-17)22-18(23)24-14-10-12(2)7-8-13(14)3/h1,7-8,10-11H,5-6,9H2,2-3H3,(H2,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.47E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165277
(1-[4-(6-Amino-9-pent-4-ynyl-9H-purin-8-ylsulfanyl)...)Show InChI InChI=1S/C18H17N5OS/c1-3-4-5-10-23-17-15(16(19)20-11-21-17)22-18(23)25-14-8-6-13(7-9-14)12(2)24/h1,6-9,11H,4-5,10H2,2H3,(H2,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165309
(8-(2,4-Dimethoxy-phenylsulfanyl)-9-pent-4-ynyl-9H-...)Show InChI InChI=1S/C18H19N5O2S/c1-4-5-6-9-23-17-15(16(19)20-11-21-17)22-18(23)26-14-8-7-12(24-2)10-13(14)25-3/h1,7-8,10-11H,5-6,9H2,2-3H3,(H2,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165290
(9-Pent-4-ynyl-8-(3,4,5-trimethoxy-phenylsulfanyl)-...)Show SMILES COc1cc(Sc2nc3c(N)nc(N)nc3n2CCCC#C)cc(OC)c1OC Show InChI InChI=1S/C19H22N6O3S/c1-5-6-7-8-25-17-14(16(20)23-18(21)24-17)22-19(25)29-11-9-12(26-2)15(28-4)13(10-11)27-3/h1,9-10H,6-8H2,2-4H3,(H4,20,21,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165275
(8-(3-Methoxy-benzenesulfonyl)-9-pent-4-ynyl-9H-pur...)Show SMILES COc1cccc(c1)S(=O)(=O)c1nc2c(N)ncnc2n1CCCC#C Show InChI InChI=1S/C17H17N5O3S/c1-3-4-5-9-22-16-14(15(18)19-11-20-16)21-17(22)26(23,24)13-8-6-7-12(10-13)25-2/h1,6-8,10-11H,4-5,9H2,2H3,(H2,18,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.57E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50165296
(9-(2-Isopropoxy-ethyl)-8-(3-methoxy-benzenesulfony...)Show SMILES COc1cccc(c1)S(=O)(=O)c1nc2c(N)ncnc2n1CCOC(C)C Show InChI InChI=1S/C17H21N5O4S/c1-11(2)26-8-7-22-16-14(15(18)19-10-20-16)21-17(22)27(23,24)13-6-4-5-12(9-13)25-3/h4-6,9-11H,7-8H2,1-3H3,(H2,18,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells |
J Med Chem 48: 2892-905 (2005)
Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 |
More data for this Ligand-Target Pair | |