Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50034428 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
(Homo sapiens (Human)) | BDBM50362219
(CHEMBL1939369)Show InChI InChI=1S/C16H13ClN4OS/c1-23-16-20-14(19-15(18)21-16)11-3-2-8-6-22-7-9-4-10(17)5-12(11)13(8)9/h2-5H,6-7H2,1H3,(H2,18,19,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay |
Bioorg Med Chem Lett 22: 1136-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50362235
(CHEMBL1939370)Show InChI InChI=1S/C20H19N3O2S/c1-13-6-7-15-11-17(13)18-12-19(23-20(21)22-18)26-16-5-2-4-14(10-16)24-8-3-9-25-15/h2,4-7,10-12H,3,8-9H2,1H3,(H2,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay |
Bioorg Med Chem Lett 22: 1136-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50362221
(CHEMBL1939385)Show SMILES Cc1cc(C)c2cc1-c1cc(SCCOC(=O)NCCNC2=O)nc(N)n1 Show InChI InChI=1S/C18H21N5O3S/c1-10-7-11(2)13-8-12(10)14-9-15(23-17(19)22-14)27-6-5-26-18(25)21-4-3-20-16(13)24/h7-9H,3-6H2,1-2H3,(H,20,24)(H,21,25)(H2,19,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay |
Bioorg Med Chem Lett 22: 1136-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50362222
(CHEMBL1939384)Show SMILES Cc1cc(C)c2cc1-c1cc(SCCNC(=O)OCCNC2=O)nc(N)n1 Show InChI InChI=1S/C18H21N5O3S/c1-10-7-11(2)13-8-12(10)14-9-15(23-17(19)22-14)27-6-4-21-18(25)26-5-3-20-16(13)24/h7-9H,3-6H2,1-2H3,(H,20,24)(H,21,25)(H2,19,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay |
Bioorg Med Chem Lett 22: 1136-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50362223
(CHEMBL1939383)Show SMILES Cc1cc(C)c2cc1-c1cc(SCCNC(=O)CCCNC2=O)nc(N)n1 Show InChI InChI=1S/C19H23N5O2S/c1-11-8-12(2)14-9-13(11)15-10-17(24-19(20)23-15)27-7-6-21-16(25)4-3-5-22-18(14)26/h8-10H,3-7H2,1-2H3,(H,21,25)(H,22,26)(H2,20,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay |
Bioorg Med Chem Lett 22: 1136-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50362224
(CHEMBL1939382)Show SMILES Cc1cc(C)c2cc1-c1cc(SCCCC(=O)NCCNC2=O)nc(N)n1 Show InChI InChI=1S/C19H23N5O2S/c1-11-8-12(2)14-9-13(11)15-10-17(24-19(20)23-15)27-7-3-4-16(25)21-5-6-22-18(14)26/h8-10H,3-7H2,1-2H3,(H,21,25)(H,22,26)(H2,20,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 0.610 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay |
Bioorg Med Chem Lett 22: 1136-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50362225
(CHEMBL1939381)Show SMILES Cc1cc(C)c2cc1-c1cc(SCCC(=O)NCCCCCNC2=O)nc(N)n1 Show InChI InChI=1S/C21H27N5O2S/c1-13-10-14(2)16-11-15(13)17-12-19(26-21(22)25-17)29-9-6-18(27)23-7-4-3-5-8-24-20(16)28/h10-12H,3-9H2,1-2H3,(H,23,27)(H,24,28)(H2,22,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay |
Bioorg Med Chem Lett 22: 1136-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50362226
(CHEMBL1939380)Show SMILES Cc1cc(C)c2cc1-c1cc(SCCC(=O)NCCCCNC2=O)nc(N)n1 Show InChI InChI=1S/C20H25N5O2S/c1-12-9-13(2)15-10-14(12)16-11-18(25-20(21)24-16)28-8-5-17(26)22-6-3-4-7-23-19(15)27/h9-11H,3-8H2,1-2H3,(H,22,26)(H,23,27)(H2,21,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 0.380 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay |
Bioorg Med Chem Lett 22: 1136-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50362227
(CHEMBL1939378)Show SMILES CCOc1cc(C)c-2cc1C(=O)NCCCOc1cccc(Sc3cc-2nc(N)n3)c1 Show InChI InChI=1S/C23H24N4O3S/c1-3-29-20-10-14(2)17-12-18(20)22(28)25-8-5-9-30-15-6-4-7-16(11-15)31-21-13-19(17)26-23(24)27-21/h4,6-7,10-13H,3,5,8-9H2,1-2H3,(H,25,28)(H2,24,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay |
Bioorg Med Chem Lett 22: 1136-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50362228
(CHEMBL1939377)Show SMILES COc1cc(C)c-2cc1C(=O)NCCCOc1cccc(Sc3cc-2nc(N)n3)c1 Show InChI InChI=1S/C22H22N4O3S/c1-13-9-19(28-2)17-11-16(13)18-12-20(26-22(23)25-18)30-15-6-3-5-14(10-15)29-8-4-7-24-21(17)27/h3,5-6,9-12H,4,7-8H2,1-2H3,(H,24,27)(H2,23,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay |
Bioorg Med Chem Lett 22: 1136-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50362229
(CHEMBL1939376)Show SMILES Cc1cc(C)c2cc1-c1cc(Sc3cccc(OCCCCCNC2=O)c3)nc(N)n1 Show InChI InChI=1S/C24H26N4O2S/c1-15-11-16(2)20-13-19(15)21-14-22(28-24(25)27-21)31-18-8-6-7-17(12-18)30-10-5-3-4-9-26-23(20)29/h6-8,11-14H,3-5,9-10H2,1-2H3,(H,26,29)(H2,25,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay |
Bioorg Med Chem Lett 22: 1136-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50362230
(CHEMBL1939375)Show SMILES Cc1cc(C)c2cc1-c1cc(Sc3cccc(OCCCCNC2=O)c3)nc(N)n1 Show InChI InChI=1S/C23H24N4O2S/c1-14-10-15(2)19-12-18(14)20-13-21(27-23(24)26-20)30-17-7-5-6-16(11-17)29-9-4-3-8-25-22(19)28/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,25,28)(H2,24,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay |
Bioorg Med Chem Lett 22: 1136-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50362231
(CHEMBL1939374)Show SMILES Cc1cc(C)c2cc1-c1cc(Sc3cccc(OCCCNC2=O)c3)nc(N)n1 Show InChI InChI=1S/C22H22N4O2S/c1-13-9-14(2)18-11-17(13)19-12-20(26-22(23)25-19)29-16-6-3-5-15(10-16)28-8-4-7-24-21(18)27/h3,5-6,9-12H,4,7-8H2,1-2H3,(H,24,27)(H2,23,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay |
Bioorg Med Chem Lett 22: 1136-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50362232
(CHEMBL1939373)Show SMILES Nc1nc2Sc3cccc(OCCCCOc4cc(c(Cl)cc4Cl)-c(c2)n1)c3 Show InChI InChI=1S/C20H17Cl2N3O2S/c21-15-10-16(22)18-9-14(15)17-11-19(25-20(23)24-17)28-13-5-3-4-12(8-13)26-6-1-2-7-27-18/h3-5,8-11H,1-2,6-7H2,(H2,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay |
Bioorg Med Chem Lett 22: 1136-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50362233
(CHEMBL1939372)Show SMILES Cc1ccc2OCCCCCOc3cccc(Sc4cc(nc(N)n4)-c1c2)c3 Show InChI InChI=1S/C22H23N3O2S/c1-15-8-9-17-13-19(15)20-14-21(25-22(23)24-20)28-18-7-5-6-16(12-18)26-10-3-2-4-11-27-17/h5-9,12-14H,2-4,10-11H2,1H3,(H2,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay |
Bioorg Med Chem Lett 22: 1136-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50362234
(CHEMBL1939371)Show InChI InChI=1S/C21H21N3O2S/c1-14-7-8-16-12-18(14)19-13-20(24-21(22)23-19)27-17-6-4-5-15(11-17)25-9-2-3-10-26-16/h4-8,11-13H,2-3,9-10H2,1H3,(H2,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay |
Bioorg Med Chem Lett 22: 1136-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50362220
(CHEMBL1939379)Show SMILES Cc1cc(C)c2cc1-c1cc(SCCC(=O)NCCCNC2=O)nc(N)n1 Show InChI InChI=1S/C19H23N5O2S/c1-11-8-12(2)14-9-13(11)15-10-17(24-19(20)23-15)27-7-4-16(25)21-5-3-6-22-18(14)26/h8-10H,3-7H2,1-2H3,(H,21,25)(H,22,26)(H2,20,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 0.520 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay |
Bioorg Med Chem Lett 22: 1136-41 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |