Found 409 hits of kd for UniProtKB: P07900 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM152279
(US8993556, 3-{2-[4-(Dimethylamino)phenoxy]-4,6-dih...)Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(on2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCO3)cc1 Show InChI InChI=1S/C31H38N4O7/c1-34(2)21-3-5-24(6-4-21)41-27-18-23(36)17-26(37)29(27)25-19-28(42-33-25)30(38)32-20-9-13-35(14-10-20)22-7-11-31(12-8-22)39-15-16-40-31/h3-6,17-20,22,36-37H,7-16H2,1-2H3,(H,32,38) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | n/a | 0.0430 | n/a | n/a | n/a | 7.6 | n/a |
Nerviano Medical Sciences S.R.L.
US Patent
| Assay Description The evaluation of the binding affinity (KD) of the compounds of formula (I) to the HSP90 protein was done using Biacore T100.His-HSP90 N-term domain ... |
US Patent US8993556 (2015)
BindingDB Entry DOI: 10.7270/Q2Q81BSQ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM152285
(US8993556, N-[1-(4,4-Difluorocyclohexyl)piperidin-...)Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC(F)(F)CC2)cc1 Show InChI InChI=1S/C29H34F2N4O5/c1-34(2)19-3-5-22(6-4-19)39-25-16-21(36)15-24(37)27(25)26-17-23(33-40-26)28(38)32-18-9-13-35(14-10-18)20-7-11-29(30,31)12-8-20/h3-6,15-18,20,36-37H,7-14H2,1-2H3,(H,32,38) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | n/a | 0.0570 | n/a | n/a | n/a | 7.6 | n/a |
Nerviano Medical Sciences S.R.L.
US Patent
| Assay Description The evaluation of the binding affinity (KD) of the compounds of formula (I) to the HSP90 protein was done using Biacore T100.His-HSP90 N-term domain ... |
US Patent US8993556 (2015)
BindingDB Entry DOI: 10.7270/Q2Q81BSQ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50442757
(CHEMBL2443026)Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCO3)cc1 Show InChI InChI=1S/C31H38N4O7/c1-34(2)21-3-5-24(6-4-21)41-27-18-23(36)17-26(37)29(27)28-19-25(33-42-28)30(38)32-20-9-13-35(14-10-20)22-7-11-31(12-8-22)39-15-16-40-31/h3-6,17-20,22,36-37H,7-16H2,1-2H3,(H,32,38) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | n/a | 0.0570 | n/a | n/a | n/a | 7.6 | n/a |
Nerviano Medical Sciences S.R.L.
US Patent
| Assay Description The evaluation of the binding affinity (KD) of the compounds of formula (I) to the HSP90 protein was done using Biacore T100.His-HSP90 N-term domain ... |
US Patent US8993556 (2015)
BindingDB Entry DOI: 10.7270/Q2Q81BSQ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM152280
(US8993556, 3-{2-[4-(Dimethylamino)phenoxy]-4,6-dih...)Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(on2)C(=O)NC2CCN(C)CC2)cc1 Show InChI InChI=1S/C24H28N4O5/c1-27(2)16-4-6-18(7-5-16)32-21-13-17(29)12-20(30)23(21)19-14-22(33-26-19)24(31)25-15-8-10-28(3)11-9-15/h4-7,12-15,29-30H,8-11H2,1-3H3,(H,25,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | n/a | 0.0660 | n/a | n/a | n/a | 7.6 | n/a |
Nerviano Medical Sciences S.R.L.
US Patent
| Assay Description The evaluation of the binding affinity (KD) of the compounds of formula (I) to the HSP90 protein was done using Biacore T100.His-HSP90 N-term domain ... |
US Patent US8993556 (2015)
BindingDB Entry DOI: 10.7270/Q2Q81BSQ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM152283
(US8993556, 5-{2-[4-(Dimethylamino)phenoxy]-4,6-dih...)Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCCO3)cc1 Show InChI InChI=1S/C32H40N4O7/c1-35(2)22-4-6-25(7-5-22)42-28-19-24(37)18-27(38)30(28)29-20-26(34-43-29)31(39)33-21-10-14-36(15-11-21)23-8-12-32(13-9-23)40-16-3-17-41-32/h4-7,18-21,23,37-38H,3,8-17H2,1-2H3,(H,33,39) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | n/a | 0.0790 | n/a | n/a | n/a | 7.6 | n/a |
Nerviano Medical Sciences S.R.L.
US Patent
| Assay Description The evaluation of the binding affinity (KD) of the compounds of formula (I) to the HSP90 protein was done using Biacore T100.His-HSP90 N-term domain ... |
US Patent US8993556 (2015)
BindingDB Entry DOI: 10.7270/Q2Q81BSQ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM152281
(US8993556, 5-{2-[4-(Dimethylamino)phenoxy]-4,6-dih...)Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCC(C)(C)CO3)cc1 Show InChI InChI=1S/C34H44N4O7/c1-33(2)20-42-34(43-21-33)13-9-24(10-14-34)38-15-11-22(12-16-38)35-32(41)27-19-30(45-36-27)31-28(40)17-25(39)18-29(31)44-26-7-5-23(6-8-26)37(3)4/h5-8,17-19,22,24,39-40H,9-16,20-21H2,1-4H3,(H,35,41) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | n/a | 0.0800 | n/a | n/a | n/a | 7.6 | n/a |
Nerviano Medical Sciences S.R.L.
US Patent
| Assay Description The evaluation of the binding affinity (KD) of the compounds of formula (I) to the HSP90 protein was done using Biacore T100.His-HSP90 N-term domain ... |
US Patent US8993556 (2015)
BindingDB Entry DOI: 10.7270/Q2Q81BSQ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM152287
(US8993556, N-(1-Cyclohexylpiperidin-4-yl)-5-{2-[4-...)Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C29H36N4O5/c1-32(2)20-8-10-23(11-9-20)37-26-17-22(34)16-25(35)28(26)27-18-24(31-38-27)29(36)30-19-12-14-33(15-13-19)21-6-4-3-5-7-21/h8-11,16-19,21,34-35H,3-7,12-15H2,1-2H3,(H,30,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | n/a | 0.0900 | n/a | n/a | n/a | 7.6 | n/a |
Nerviano Medical Sciences S.R.L.
US Patent
| Assay Description The evaluation of the binding affinity (KD) of the compounds of formula (I) to the HSP90 protein was done using Biacore T100.His-HSP90 N-term domain ... |
US Patent US8993556 (2015)
BindingDB Entry DOI: 10.7270/Q2Q81BSQ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50442759
(CHEMBL2443138)Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1 Show InChI InChI=1S/C24H28N4O5/c1-27(2)16-4-6-18(7-5-16)32-21-13-17(29)12-20(30)23(21)22-14-19(26-33-22)24(31)25-15-8-10-28(3)11-9-15/h4-7,12-15,29-30H,8-11H2,1-3H3,(H,25,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | n/a | 0.120 | n/a | n/a | n/a | 7.6 | n/a |
Nerviano Medical Sciences S.R.L.
US Patent
| Assay Description The evaluation of the binding affinity (KD) of the compounds of formula (I) to the HSP90 protein was done using Biacore T100.His-HSP90 N-term domain ... |
US Patent US8993556 (2015)
BindingDB Entry DOI: 10.7270/Q2Q81BSQ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM152284
(US8993556, N-[1-(Cyclohexylmethyl)piperidin-4-yl]-...)Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC3CCCCC3)CC2)cc1 Show InChI InChI=1S/C30H38N4O5/c1-33(2)22-8-10-24(11-9-22)38-27-17-23(35)16-26(36)29(27)28-18-25(32-39-28)30(37)31-21-12-14-34(15-13-21)19-20-6-4-3-5-7-20/h8-11,16-18,20-21,35-36H,3-7,12-15,19H2,1-2H3,(H,31,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | n/a | 0.188 | n/a | n/a | n/a | 7.6 | n/a |
Nerviano Medical Sciences S.R.L.
US Patent
| Assay Description The evaluation of the binding affinity (KD) of the compounds of formula (I) to the HSP90 protein was done using Biacore T100.His-HSP90 N-term domain ... |
US Patent US8993556 (2015)
BindingDB Entry DOI: 10.7270/Q2Q81BSQ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50442758
(CHEMBL2443139)Show SMILES CC(C)Nc1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1 Show InChI InChI=1S/C25H30N4O5/c1-15(2)26-16-4-6-19(7-5-16)33-22-13-18(30)12-21(31)24(22)23-14-20(28-34-23)25(32)27-17-8-10-29(3)11-9-17/h4-7,12-15,17,26,30-31H,8-11H2,1-3H3,(H,27,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | n/a | 0.218 | n/a | n/a | n/a | 7.6 | n/a |
Nerviano Medical Sciences S.R.L.
US Patent
| Assay Description The evaluation of the binding affinity (KD) of the compounds of formula (I) to the HSP90 protein was done using Biacore T100.His-HSP90 N-term domain ... |
US Patent US8993556 (2015)
BindingDB Entry DOI: 10.7270/Q2Q81BSQ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM152286
(US8993556, 3-[2,4-Dihydroxy-6-(4-nitrophenoxy)phen...)Show SMILES CN1CCC(CC1)NC(=O)c1cc(no1)-c1c(O)cc(O)cc1Oc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C22H22N4O7/c1-25-8-6-13(7-9-25)23-22(29)20-12-17(24-33-20)21-18(28)10-15(27)11-19(21)32-16-4-2-14(3-5-16)26(30)31/h2-5,10-13,27-28H,6-9H2,1H3,(H,23,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | n/a | 0.240 | n/a | n/a | n/a | 7.6 | n/a |
Nerviano Medical Sciences S.R.L.
US Patent
| Assay Description The evaluation of the binding affinity (KD) of the compounds of formula (I) to the HSP90 protein was done using Biacore T100.His-HSP90 N-term domain ... |
US Patent US8993556 (2015)
BindingDB Entry DOI: 10.7270/Q2Q81BSQ |
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)) | BDBM152277
(US8993556, N-(1-Cyclohexylpiperidin-4-yl)-5-[2,4-d...)Show SMILES Oc1cc(O)c(-c2cc(no2)C(=O)NC2CCN(CC2)C2CCCCC2)c(Oc2ccc(cc2)[N+]([O-])=O)c1 Show InChI InChI=1S/C27H30N4O7/c32-20-14-23(33)26(24(15-20)37-21-8-6-19(7-9-21)31(35)36)25-16-22(29-38-25)27(34)28-17-10-12-30(13-11-17)18-4-2-1-3-5-18/h6-9,14-18,32-33H,1-5,10-13H2,(H,28,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | 7.6 | n/a |
Nerviano Medical Sciences S.R.L.
US Patent
| Assay Description The evaluation of the binding affinity (KD) of the compounds of formula (I) to the HSP90 protein was done using Biacore T100.His-HSP90 N-term domain ... |
US Patent US8993556 (2015)
BindingDB Entry DOI: 10.7270/Q2Q81BSQ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50495248
(CHEMBL3104281)Show SMILES C[C@H](CSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23)C(N)=O |r| Show InChI InChI=1S/C19H18ClN5O2S/c1-9(16(21)26)8-28-19-24-17(23-18(22)25-19)15-12-4-2-3-10-6-27-7-11(14(10)12)5-13(15)20/h2-5,9H,6-8H2,1H3,(H2,21,26)(H2,22,23,24,25)/t9-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 0.330 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay |
Bioorg Med Chem 22: 892-905 (2014)
Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50442760
(CHEMBL2443044)Show SMILES CN1CCC(CC1)NC(=O)c1cc(on1)-c1c(O)cc(O)cc1Oc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C22H22N4O7/c1-25-8-6-13(7-9-25)23-22(29)17-12-20(33-24-17)21-18(28)10-15(27)11-19(21)32-16-4-2-14(3-5-16)26(30)31/h2-5,10-13,27-28H,6-9H2,1H3,(H,23,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB US Patent
| n/a | n/a | n/a | 0.350 | n/a | n/a | n/a | 7.6 | n/a |
Nerviano Medical Sciences S.R.L.
US Patent
| Assay Description The evaluation of the binding affinity (KD) of the compounds of formula (I) to the HSP90 protein was done using Biacore T100.His-HSP90 N-term domain ... |
US Patent US8993556 (2015)
BindingDB Entry DOI: 10.7270/Q2Q81BSQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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)) | BDBM152282
(US8993556, 5-{2-[4-(Dimethylamino)phenoxy]-4,6-dih...)Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCCCO3)cc1 Show InChI InChI=1S/C33H42N4O7/c1-36(2)23-5-7-26(8-6-23)43-29-20-25(38)19-28(39)31(29)30-21-27(35-44-30)32(40)34-22-11-15-37(16-12-22)24-9-13-33(14-10-24)41-17-3-4-18-42-33/h5-8,19-22,24,38-39H,3-4,9-18H2,1-2H3,(H,34,40) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | n/a | 0.423 | n/a | n/a | n/a | 7.6 | n/a |
Nerviano Medical Sciences S.R.L.
US Patent
| Assay Description The evaluation of the binding affinity (KD) of the compounds of formula (I) to the HSP90 protein was done using Biacore T100.His-HSP90 N-term domain ... |
US Patent US8993556 (2015)
BindingDB Entry DOI: 10.7270/Q2Q81BSQ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50495254
(CHEMBL3104273)Show SMILES CS(=O)(=O)NCCSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23 Show InChI InChI=1S/C18H18ClN5O3S2/c1-29(25,26)21-5-6-28-18-23-16(22-17(20)24-18)15-12-4-2-3-10-8-27-9-11(14(10)12)7-13(15)19/h2-4,7,21H,5-6,8-9H2,1H3,(H2,20,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay |
Bioorg Med Chem 22: 892-905 (2014)
Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50495250
(CHEMBL3104277)Show SMILES NC(=O)OCCSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23 Show InChI InChI=1S/C18H16ClN5O3S/c19-12-6-10-8-26-7-9-2-1-3-11(13(9)10)14(12)15-22-16(20)24-18(23-15)28-5-4-27-17(21)25/h1-3,6H,4-5,7-8H2,(H2,21,25)(H2,20,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay |
Bioorg Med Chem 22: 892-905 (2014)
Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50495245
(CHEMBL3104289)Show SMILES NC(=O)CCCSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23 Show InChI InChI=1S/C19H18ClN5O2S/c20-13-7-11-9-27-8-10-3-1-4-12(15(10)11)16(13)17-23-18(22)25-19(24-17)28-6-2-5-14(21)26/h1,3-4,7H,2,5-6,8-9H2,(H2,21,26)(H2,22,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay |
Bioorg Med Chem 22: 892-905 (2014)
Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR |
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) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50495244
(CHEMBL3104276)Show InChI InChI=1S/C17H15ClN4O2S/c18-12-6-10-8-24-7-9-2-1-3-11(13(9)10)14(12)15-20-16(19)22-17(21-15)25-5-4-23/h1-3,6,23H,4-5,7-8H2,(H2,19,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 0.540 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay |
Bioorg Med Chem 22: 892-905 (2014)
Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50495243
(CHEMBL3104280)Show SMILES CC(CSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23)C(N)=O Show InChI InChI=1S/C19H18ClN5O2S/c1-9(16(21)26)8-28-19-24-17(23-18(22)25-19)15-12-4-2-3-10-6-27-7-11(14(10)12)5-13(15)20/h2-5,9H,6-8H2,1H3,(H2,21,26)(H2,22,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay |
Bioorg Med Chem 22: 892-905 (2014)
Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR |
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)) | 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)) | BDBM50495240
(CHEMBL3104278)Show SMILES NC(=O)CCSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23 Show InChI InChI=1S/C18H16ClN5O2S/c19-12-6-10-8-26-7-9-2-1-3-11(14(9)10)15(12)16-22-17(21)24-18(23-16)27-5-4-13(20)25/h1-3,6H,4-5,7-8H2,(H2,20,25)(H2,21,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 0.660 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay |
Bioorg Med Chem 22: 892-905 (2014)
Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50495256
(CHEMBL3104285)Show SMILES CNC(=O)CCSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23 Show InChI InChI=1S/C19H18ClN5O2S/c1-22-14(26)5-6-28-19-24-17(23-18(21)25-19)16-12-4-2-3-10-8-27-9-11(15(10)12)7-13(16)20/h2-4,7H,5-6,8-9H2,1H3,(H,22,26)(H2,21,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 0.660 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay |
Bioorg Med Chem 22: 892-905 (2014)
Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR |
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)) | BDBM50276167
(CHEMBL512489 | Carbamic acid (4E,10E)-(8S,9S,12S,1...)Show SMILES CO[C@H]1CC\C=C(C)\C(=O)Nc2ccc(O)c(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C(C)\[C@@H]1OC(N)=O)c2 |r,c:5,28| Show InChI InChI=1S/C28H42N2O7/c1-16-12-20-15-21(10-11-22(20)31)30-27(33)17(2)8-7-9-23(35-5)26(37-28(29)34)19(4)14-18(3)25(32)24(13-16)36-6/h8,10-11,14-16,18,23-26,31-32H,7,9,12-13H2,1-6H3,(H2,29,34)(H,30,33)/b17-8+,19-14+/t16-,18+,23+,24+,25-,26+/m1/s1 | 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 | 0.800 | n/a | n/a | n/a | n/a | n/a |
Kosan Biosciences Inc
Curated by ChEMBL
| Assay Description Binding affinity to human recombinant Hsp90alpha N-terminal domain by isothermal titration calorimetry |
J Med Chem 52: 1518-21 (2009)
Article DOI: 10.1021/jm900012a BindingDB Entry DOI: 10.7270/Q2QN67Q8 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM152278
(US8993556, N-[1-(4,4-Difluorocyclohexyl)piperidin-...)Show SMILES Oc1cc(O)c(-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC(F)(F)CC2)c(Oc2ccc(cc2)[N+]([O-])=O)c1 Show InChI InChI=1S/C27H28F2N4O7/c28-27(29)9-5-17(6-10-27)32-11-7-16(8-12-32)30-26(36)21-15-24(40-31-21)25-22(35)13-19(34)14-23(25)39-20-3-1-18(2-4-20)33(37)38/h1-4,13-17,34-35H,5-12H2,(H,30,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | n/a | 0.800 | n/a | n/a | n/a | 7.6 | n/a |
Nerviano Medical Sciences S.R.L.
US Patent
| Assay Description The evaluation of the binding affinity (KD) of the compounds of formula (I) to the HSP90 protein was done using Biacore T100.His-HSP90 N-term domain ... |
US Patent US8993556 (2015)
BindingDB Entry DOI: 10.7270/Q2Q81BSQ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM152274
(US8993556, 5-[2,4-Dihydroxy-6-(4-nitrophenoxy)phen...)Show SMILES CCNC(=O)c1cc(on1)-c1c(O)cc(O)cc1Oc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C18H15N3O7/c1-2-19-18(24)13-9-16(28-20-13)17-14(23)7-11(22)8-15(17)27-12-5-3-10(4-6-12)21(25)26/h3-9,22-23H,2H2,1H3,(H,19,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB US Patent
| n/a | n/a | n/a | 0.800 | n/a | n/a | n/a | 7.6 | n/a |
Nerviano Medical Sciences S.R.L.
US Patent
| Assay Description The evaluation of the binding affinity (KD) of the compounds of formula (I) to the HSP90 protein was done using Biacore T100.His-HSP90 N-term domain ... |
US Patent US8993556 (2015)
BindingDB Entry DOI: 10.7270/Q2Q81BSQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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)) | BDBM50495239
(CHEMBL3104272)Show SMILES CC(=O)NCCSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23 Show InChI InChI=1S/C19H18ClN5O2S/c1-10(26)22-5-6-28-19-24-17(23-18(21)25-19)16-13-4-2-3-11-8-27-9-12(15(11)13)7-14(16)20/h2-4,7H,5-6,8-9H2,1H3,(H,22,26)(H2,21,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 0.820 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay |
Bioorg Med Chem 22: 892-905 (2014)
Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM227589
(Radicicol)Show SMILES C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,c:7,t:9| Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2+,5-3-/t9-,14-,15-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Salerno
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human HSP90 alpha by Surface plasmon resonance analysis |
J Nat Prod 82: 539-549 (2019)
Article DOI: 10.1021/acs.jnatprod.8b00924 BindingDB Entry DOI: 10.7270/Q2JD518M |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50495246
(CHEMBL3104288)Show SMILES NC(=O)CSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23 Show InChI InChI=1S/C17H14ClN5O2S/c18-11-4-9-6-25-5-8-2-1-3-10(13(8)9)14(11)15-21-16(20)23-17(22-15)26-7-12(19)24/h1-4H,5-7H2,(H2,19,24)(H2,20,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| 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 human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay |
Bioorg Med Chem 22: 892-905 (2014)
Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50495242
(CHEMBL3104287)Show SMILES Nc1nc(SCCC(=O)NCCO)nc(n1)-c1c(Cl)cc2COCc3cccc1c23 Show InChI InChI=1S/C20H20ClN5O3S/c21-14-8-12-10-29-9-11-2-1-3-13(16(11)12)17(14)18-24-19(22)26-20(25-18)30-7-4-15(28)23-5-6-27/h1-3,8,27H,4-7,9-10H2,(H,23,28)(H2,22,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| 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 human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay |
Bioorg Med Chem 22: 892-905 (2014)
Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR |
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)) | BDBM50495252
(CHEMBL3104274)Show SMILES NC(=O)NCCSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23 Show InChI InChI=1S/C18H17ClN6O2S/c19-12-6-10-8-27-7-9-2-1-3-11(13(9)10)14(12)15-23-16(20)25-18(24-15)28-5-4-22-17(21)26/h1-3,6H,4-5,7-8H2,(H3,21,22,26)(H2,20,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay |
Bioorg Med Chem 22: 892-905 (2014)
Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50495252
(CHEMBL3104274)Show SMILES NC(=O)NCCSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23 Show InChI InChI=1S/C18H17ClN6O2S/c19-12-6-10-8-27-7-9-2-1-3-11(13(9)10)14(12)15-23-16(20)25-18(24-15)28-5-4-22-17(21)26/h1-3,6H,4-5,7-8H2,(H3,21,22,26)(H2,20,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116614 BindingDB Entry DOI: 10.7270/Q21Z48DS |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50274535
(CHEMBL4126250)Show SMILES CCNC(=O)c1noc(c1NC(=O)c1ccc(cc1)C(=O)NC(N)=N)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C24H26N6O6/c1-4-27-23(35)19-18(20(36-30-19)15-9-14(11(2)3)16(31)10-17(15)32)28-21(33)12-5-7-13(8-6-12)22(34)29-24(25)26/h5-11,31-32H,4H2,1-3H3,(H,27,35)(H,28,33)(H4,25,26,29,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by ChEMBL
| Assay Description Inhibition of FITC-geldanamycin binding to recombinant human HSP90alpha expressed in Escherichia coli by fluorescence anisotropy method |
Bioorg Med Chem Lett 28: 2289-2293 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.031 BindingDB Entry DOI: 10.7270/Q2028V14 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50495251
(CHEMBL3104275)Show SMILES CN(C)CCSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23 Show InChI InChI=1S/C19H20ClN5OS/c1-25(2)6-7-27-19-23-17(22-18(21)24-19)16-13-5-3-4-11-9-26-10-12(15(11)13)8-14(16)20/h3-5,8H,6-7,9-10H2,1-2H3,(H2,21,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay |
Bioorg Med Chem 22: 892-905 (2014)
Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50495253
(CHEMBL3104284)Show SMILES Nc1nc(SC[C@H]2CNC(=O)O2)nc(n1)-c1c(Cl)cc2COCc3cccc1c23 |r| Show InChI InChI=1S/C19H16ClN5O3S/c20-13-4-10-7-27-6-9-2-1-3-12(14(9)10)15(13)16-23-17(21)25-18(24-16)29-8-11-5-22-19(26)28-11/h1-4,11H,5-8H2,(H,22,26)(H2,21,23,24,25)/t11-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay |
Bioorg Med Chem 22: 892-905 (2014)
Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM227589
(Radicicol)Show SMILES C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,c:7,t:9| Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2+,5-3-/t9-,14-,15-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to recombinant human HSP90alpha by surface plasmon resonance analysis |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.0c01217 BindingDB Entry DOI: 10.7270/Q28056CD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50495247
(CHEMBL3104283)Show SMILES Nc1nc(SC[C@@H]2CNC(=O)O2)nc(n1)-c1c(Cl)cc2COCc3cccc1c23 |r| Show InChI InChI=1S/C19H16ClN5O3S/c20-13-4-10-7-27-6-9-2-1-3-12(14(9)10)15(13)16-23-17(21)25-18(24-16)29-8-11-5-22-19(26)28-11/h1-4,11H,5-8H2,(H,22,26)(H2,21,23,24,25)/t11-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay |
Bioorg Med Chem 22: 892-905 (2014)
Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50276279
(CHEMBL511439 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)Show SMILES CO[C@H]1C[C@H](C)Cc2cc(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)ccc2O |r,w:15.15,t:27| Show InChI InChI=1S/C28H40N2O7/c1-16-12-20-15-21(10-11-22(20)31)30-27(33)17(2)8-7-9-23(35-5)26(37-28(29)34)19(4)14-18(3)25(32)24(13-16)36-6/h7-11,14-16,18,23-26,31-32H,12-13H2,1-6H3,(H2,29,34)(H,30,33)/b9-7?,17-8?,19-14+/t16-,18+,23+,24+,25-,26+/m1/s1 | 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 | 2.5 | n/a | n/a | n/a | n/a | n/a |
Kosan Biosciences Inc
Curated by ChEMBL
| Assay Description Binding affinity to human recombinant Hsp90alpha N-terminal domain by isothermal titration calorimetry |
J Med Chem 52: 1518-21 (2009)
Article DOI: 10.1021/jm900012a BindingDB Entry DOI: 10.7270/Q2QN67Q8 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50495241
(CHEMBL3104286)Show SMILES CN(C)C(=O)CCSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23 Show InChI InChI=1S/C20H20ClN5O2S/c1-26(2)15(27)6-7-29-20-24-18(23-19(22)25-20)17-13-5-3-4-11-9-28-10-12(16(11)13)8-14(17)21/h3-5,8H,6-7,9-10H2,1-2H3,(H2,22,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay |
Bioorg Med Chem 22: 892-905 (2014)
Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50347503
(RADICICOL)Show SMILES C[C@@H]1C[C@@H]2O[C@@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,w:9.10,7.8| Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14-,15+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description The compound was tested for binding affinity against isolated N-domain of Heat shock protein HSP 90 |
J Med Chem 42: 260-6 (1999)
Article DOI: 10.1021/jm980403y BindingDB Entry DOI: 10.7270/Q29G5NHQ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50464556
(CHEMBL4289811 | US10464907, Compound 21f | US10889...)Show SMILES CCCNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1 Show InChI InChI=1S/C22H28N2O4/c1-5-10-23-21(27)16-8-6-15(7-9-16)13-24(4)22(28)18-11-17(14(2)3)19(25)12-20(18)26/h6-9,11-12,14,25-26H,5,10,13H2,1-4H3,(H,23,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a |
Keimyung University
Curated by ChEMBL
| Assay Description Binding affinity to N-terminal domain of recombinant full-length HSP90alpha (unknown origin) by surface plasmon resonance assay |
Eur J Med Chem 143: 390-401 (2018)
Article DOI: 10.1016/j.ejmech.2017.11.054 BindingDB Entry DOI: 10.7270/Q29C713M |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM152276
(US8993556, 5-[2,4-Dihydroxy-6-(4-nitrophenoxy)phen...)Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc(on1)-c1c(O)cc(O)cc1Oc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C24H26N4O7/c1-14(2)27-9-7-15(8-10-27)25-24(31)19-13-22(35-26-19)23-20(30)11-17(29)12-21(23)34-18-5-3-16(4-6-18)28(32)33/h3-6,11-15,29-30H,7-10H2,1-2H3,(H,25,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | n/a | 3.20 | n/a | n/a | n/a | 7.6 | n/a |
Nerviano Medical Sciences S.R.L.
US Patent
| Assay Description The evaluation of the binding affinity (KD) of the compounds of formula (I) to the HSP90 protein was done using Biacore T100.His-HSP90 N-term domain ... |
US Patent US8993556 (2015)
BindingDB Entry DOI: 10.7270/Q2Q81BSQ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50354813
(CHEMBL1834096)Show InChI InChI=1S/C16H13ClN4OS/c1-23-16-20-14(19-15(18)21-16)13-10-4-2-3-8-6-22-7-9(12(8)10)5-11(13)17/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
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116614 BindingDB Entry DOI: 10.7270/Q21Z48DS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |