Found 140 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/90-beta
(Homo sapiens (Human)) | BDBM50482743
(CHEMBL1215467)Show InChI InChI=1S/C18H19NO3/c1-11(2)14-7-15(17(21)8-16(14)20)18(22)19-9-12-5-3-4-6-13(12)10-19/h3-8,11,20-21H,9-10H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| Purchase
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 0.540 | n/a | n/a | n/a | n/a | n/a |
Astex Therapeutics, Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetry |
J Med Chem 53: 5942-55 (2010)
Article DOI: 10.1021/jm100059d
BindingDB Entry DOI: 10.7270/Q2QF8WPC |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50593502
(CHEMBL1215539) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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 |
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/90-beta
(Homo sapiens (Human)) | BDBM50593503
(CHEMBL5174695)Show SMILES CCc1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.710 | 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/90-beta
(Homo sapiens (Human)) | BDBM50455692
(CHEMBL3911424)Show SMILES CN(Cc1ccccc1C)C(=O)c1cc(-c2n[nH]c(=O)n2-c2ccccc2C)c(O)cc1O |(5.39,2.83,;4.91,1.37,;5.93,.22,;7.44,.53,;7.92,1.99,;9.43,2.3,;10.46,1.15,;9.97,-.31,;8.46,-.62,;7.97,-2.08,;3.4,1.07,;2.91,-.4,;2.38,2.22,;.87,1.91,;-.15,3.06,;-1.66,2.75,;-2.8,3.79,;-4.14,3.03,;-3.83,1.52,;-4.87,.39,;-2.3,1.35,;-1.54,.01,;;.76,-1.34,;-.02,-2.67,;-1.56,-2.66,;-2.32,-1.32,;-3.86,-1.3,;.33,4.52,;-.69,5.68,;1.84,4.83,;2.86,3.68,;4.37,3.99,)| Show InChI InChI=1S/C15H20N2O4S3.ClH/c1-3-11(2)17-9-12-5-4-6-13(7-12)23(18,19)14-8-15(22-10-14)24(16,20)21;/h4-8,10-11,17H,3,9H2,1-2H3,(H2,16,20,21);1H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50455734
(CHEMBL3889463)Show SMILES CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1ccc(cc1)N1CCN(C)CC1 Show InChI InChI=1S/C28H31N5O2/c1-19-5-4-6-20(15-19)16-25-23-17-24(27(34)18-26(23)30-29-25)28(35)32(3)21-7-9-22(10-8-21)33-13-11-31(2)12-14-33/h4-10,15,17-18,34H,11-14,16H2,1-3H3,(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50455705
(CHEMBL3907641)Show SMILES CN(Cc1cccs1)C(=O)c1cc(-c2n[nH]c(=O)n2-c2ccccc2C)c(O)cc1O |(5.38,2.85,;4.9,1.39,;5.93,.24,;7.44,.56,;8.07,1.96,;9.6,1.79,;9.91,.29,;8.58,-.48,;3.39,1.08,;2.91,-.38,;2.37,2.23,;.86,1.91,;-.16,3.06,;-1.67,2.75,;-2.81,3.78,;-4.15,3.02,;-3.84,1.51,;-4.87,.37,;-2.3,1.34,;-1.54,.01,;;.76,-1.34,;-.01,-2.67,;-1.55,-2.66,;-2.32,-1.32,;-3.86,-1.32,;.32,4.52,;-.71,5.67,;1.82,4.84,;2.85,3.69,;4.36,4,)| Show InChI InChI=1S/C22H20N4O4S/c1-13-6-3-4-8-17(13)26-20(23-24-22(26)30)15-10-16(19(28)11-18(15)27)21(29)25(2)12-14-7-5-9-31-14/h3-11,27-28H,12H2,1-2H3,(H,24,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50455704
(CHEMBL3920953)Show SMILES COc1ccccc1CN(C)C(=O)c1cc(-c2n[nH]c(=O)n2-c2ccccc2C)c(O)cc1O |(9,-3.22,;7.98,-2.07,;8.46,-.6,;9.97,-.29,;10.45,1.17,;9.43,2.32,;7.92,2.01,;7.44,.55,;5.93,.23,;4.9,1.38,;5.39,2.85,;3.4,1.07,;2.91,-.39,;2.37,2.22,;.86,1.91,;-.16,3.06,;-1.67,2.75,;-2.81,3.79,;-4.14,3.02,;-3.83,1.52,;-4.87,.38,;-2.3,1.35,;-1.54,.01,;;.76,-1.34,;-.01,-2.67,;-1.55,-2.66,;-2.32,-1.32,;-3.86,-1.31,;.32,4.52,;-.7,5.67,;1.83,4.84,;2.86,3.69,;4.36,4,)| Show InChI InChI=1S/C25H24N4O5/c1-15-8-4-6-10-19(15)29-23(26-27-25(29)33)17-12-18(21(31)13-20(17)30)24(32)28(2)14-16-9-5-7-11-22(16)34-3/h4-13,30-31H,14H2,1-3H3,(H,27,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50455711
(CHEMBL3901758)Show SMILES CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C27H29N5O2/c1-18-4-3-5-19(14-18)15-24-22-16-23(26(33)17-25(22)30-29-24)27(34)31(2)20-6-8-21(9-7-20)32-12-10-28-11-13-32/h3-9,14,16-17,28,33H,10-13,15H2,1-2H3,(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50482760
(CHEMBL1231550)Show SMILES Nc1nc(Cl)cc(n1)-c1cc(OCCN2CCOCC2)c(Cl)cc1Cl Show InChI InChI=1S/C16H17Cl3N4O2/c17-11-8-12(18)14(25-6-3-23-1-4-24-5-2-23)7-10(11)13-9-15(19)22-16(20)21-13/h7-9H,1-6H2,(H2,20,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a |
Astex Therapeutics, Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetry |
J Med Chem 53: 5942-55 (2010)
Article DOI: 10.1021/jm100059d
BindingDB Entry DOI: 10.7270/Q2QF8WPC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50455695
(CHEMBL4214676)Show SMILES CCCc1n[nH]c2cc(O)c(cc12)C(=O)N(C)c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C11H11NO6S2/c1-17-8-2-4-9(5-3-8)19(13,14)10-6-11(18-7-10)20(12,15)16/h2-7H,1H3,(H2,12,15,16) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50455686
(CHEMBL3906699)Show SMILES CN(Cc1cccc(C)c1)C(=O)c1cc(-c2n[nH]c(=O)n2-c2ccccc2C)c(O)cc1O |(5.38,2.86,;4.9,1.4,;5.93,.25,;7.43,.57,;7.91,2.03,;9.42,2.35,;10.45,1.2,;9.97,-.26,;11,-1.41,;8.46,-.58,;3.39,1.08,;2.91,-.38,;2.37,2.23,;.86,1.91,;-.17,3.06,;-1.68,2.74,;-2.82,3.78,;-4.15,3.01,;-3.84,1.5,;-4.87,.36,;-2.31,1.34,;-1.54,0,;;.77,-1.34,;-.01,-2.67,;-1.55,-2.66,;-2.31,-1.33,;-3.85,-1.32,;.31,4.52,;-.72,5.67,;1.82,4.84,;2.84,3.69,;4.35,4.01,)| Show InChI InChI=1S/C13H14N2O3S2.ClH/c1-15-7-9-2-4-10(5-3-9)13(16)11-6-12(19-8-11)20(14,17)18;/h2-6,8,15H,7H2,1H3,(H2,14,17,18);1H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50455696
(CHEMBL3942566)Show SMILES CCC(C)c1n[nH]c2cc(O)c(cc12)C(=O)N(C)c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C16H21N3O4S3.ClH/c1-18-6-8-19(9-7-18)11-13-2-4-14(5-3-13)25(20,21)15-10-16(24-12-15)26(17,22)23;/h2-5,10,12H,6-9,11H2,1H3,(H2,17,22,23);1H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50482754
(CHEMBL1253285)Show InChI InChI=1S/C11H8Cl3N3O/c1-18-9-2-5(6(12)3-7(9)13)8-4-10(14)17-11(15)16-8/h2-4H,1H3,(H2,15,16,17) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a |
Astex Therapeutics, Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetry |
J Med Chem 53: 5942-55 (2010)
Article DOI: 10.1021/jm100059d
BindingDB Entry DOI: 10.7270/Q2QF8WPC |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50455724
(CHEMBL4213748)Show SMILES CCCCc1n[nH]c2cc(O)c(cc12)C(=O)N(C)c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C23H28N4O3/c1-3-4-5-20-18-14-19(22(28)15-21(18)25-24-20)23(29)26(2)16-6-8-17(9-7-16)27-10-12-30-13-11-27/h6-9,14-15,28H,3-5,10-13H2,1-2H3,(H,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50455700
(CHEMBL4206672)Show SMILES CN(C(=O)c1cc2c(CC3CCCC3)n[nH]c2cc1O)c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C25H30N4O3/c1-28(18-6-8-19(9-7-18)29-10-12-32-13-11-29)25(31)21-15-20-22(14-17-4-2-3-5-17)26-27-23(20)16-24(21)30/h6-9,15-17,30H,2-5,10-14H2,1H3,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50455712
(CHEMBL3892221)Show SMILES CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1ccc(cc1)N1CCOCC1=O Show InChI InChI=1S/C27H26N4O4/c1-17-4-3-5-18(12-17)13-23-21-14-22(25(32)15-24(21)29-28-23)27(34)30(2)19-6-8-20(9-7-19)31-10-11-35-16-26(31)33/h3-9,12,14-15,32H,10-11,13,16H2,1-2H3,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 8.40 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50455698
(CHEMBL3937274)Show SMILES CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C27H28N4O3/c1-18-4-3-5-19(14-18)15-24-22-16-23(26(32)17-25(22)29-28-24)27(33)30(2)20-6-8-21(9-7-20)31-10-12-34-13-11-31/h3-9,14,16-17,32H,10-13,15H2,1-2H3,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50455702
(CHEMBL3903964)Show SMILES CN(Cc1ccccc1)C(=O)c1cc(-c2n[nH]c(=O)n2-c2ccccc2C)c(O)cc1O |(5.36,2.9,;4.89,1.43,;5.93,.29,;7.43,.62,;7.9,2.08,;9.41,2.41,;10.44,1.27,;9.97,-.2,;8.47,-.53,;3.39,1.1,;2.92,-.36,;2.35,2.25,;.85,1.92,;-.19,3.06,;-1.69,2.73,;-2.84,3.76,;-4.17,2.99,;-3.85,1.48,;-4.87,.33,;-2.31,1.33,;-1.54,-.01,;;.77,-1.33,;.01,-2.67,;-1.53,-2.67,;-2.31,-1.34,;-3.85,-1.35,;.28,4.53,;-.75,5.67,;1.79,4.85,;2.82,3.71,;4.33,4.04,)| Show InChI InChI=1S/C24H22N4O4/c1-15-8-6-7-11-19(15)28-22(25-26-24(28)32)17-12-18(21(30)13-20(17)29)23(31)27(2)14-16-9-4-3-5-10-16/h3-13,29-30H,14H2,1-2H3,(H,26,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50482742
(CHEMBL1253360)Show InChI InChI=1S/C14H19NO4/c1-9(2)10-7-11(13(17)8-12(10)16)14(18)15-3-5-19-6-4-15/h7-9,16-17H,3-6H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a |
Astex Therapeutics, Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetry |
J Med Chem 53: 5942-55 (2010)
Article DOI: 10.1021/jm100059d
BindingDB Entry DOI: 10.7270/Q2QF8WPC |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50455697
(CHEMBL3899246)Show SMILES COCc1n[nH]c2cc(O)c(cc12)C(=O)N(C)c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C11H11NO4S3/c1-8-2-4-9(5-3-8)18(13,14)10-6-11(17-7-10)19(12,15)16/h2-7H,1H3,(H2,12,15,16) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50455691
(CHEMBL4218214)Show SMILES COc1cccc(Cc2n[nH]c3cc(O)c(cc23)C(=O)N(C)c2ccc(cc2)N2CCOCC2)c1 Show InChI InChI=1S/C17H17N3O4S3.ClH/c18-27(23,24)17-9-15(12-25-17)26(21,22)16-7-2-1-5-13(16)10-19-11-14-6-3-4-8-20-14;/h1-9,12,19H,10-11H2,(H2,18,23,24);1H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM81731
(HSP90 Inhibitor, 5)Show InChI InChI=1S/C10H6Cl3N3/c11-5-1-2-6(7(12)3-5)8-4-9(13)16-10(14)15-8/h1-4H,(H2,14,15,16) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a |
Astex Therapeutics, Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetry |
J Med Chem 53: 5942-55 (2010)
Article DOI: 10.1021/jm100059d
BindingDB Entry DOI: 10.7270/Q2QF8WPC |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50455707
(CHEMBL4216189)Show SMILES CN(C)CCOCc1ccc(cc1)N(C)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O Show InChI InChI=1S/C28H32N4O3/c1-19-6-5-7-21(14-19)15-25-23-16-24(27(33)17-26(23)30-29-25)28(34)32(4)22-10-8-20(9-11-22)18-35-13-12-31(2)3/h5-11,14,16-17,33H,12-13,15,18H2,1-4H3,(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50455694
(CHEMBL4214174)Show SMILES CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1ccc(CNS(C)(=O)=O)cc1 Show InChI InChI=1S/C10H9NO6S2/c11-19(15,16)10-5-9(6-17-10)18(13,14)8-3-1-7(12)2-4-8/h1-6,12H,(H2,11,15,16) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50455693
(CHEMBL4208360)Show SMILES COc1ccc(cc1Cl)N(C)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O Show InChI InChI=1S/C11H11NO5S2/c1-8-2-4-9(5-3-8)18(13,14)10-6-11(17-7-10)19(12,15)16/h2-7H,1H3,(H2,12,15,16) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50455735
(CHEMBL3966607)Show SMILES CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1ccc2OCOc2c1 Show InChI InChI=1S/C24H21N3O4/c1-14-4-3-5-15(8-14)9-19-17-11-18(21(28)12-20(17)26-25-19)24(29)27(2)16-6-7-22-23(10-16)31-13-30-22/h3-8,10-12,28H,9,13H2,1-2H3,(H,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50455723
(CHEMBL3970784)Show SMILES CN(C(=O)c1cc2c(n[nH]c2cc1O)C(=O)N1CCCC1)c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C24H27N5O4/c1-27(16-4-6-17(7-5-16)28-10-12-33-13-11-28)23(31)19-14-18-20(15-21(19)30)25-26-22(18)24(32)29-8-2-3-9-29/h4-7,14-15,30H,2-3,8-13H2,1H3,(H,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90 (unknown origin) by isothermal titration calorimetry |
J Med Chem 63: 1798-1822 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00940
BindingDB Entry DOI: 10.7270/Q23X8B3C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50455731
(CHEMBL3902156)Show SMILES CN(C)c1ccc(cc1)N(C)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O Show InChI InChI=1S/C25H26N4O2/c1-16-6-5-7-17(12-16)13-22-20-14-21(24(30)15-23(20)27-26-22)25(31)29(4)19-10-8-18(9-11-19)28(2)3/h5-12,14-15,30H,13H2,1-4H3,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50455729
(CHEMBL3896847)Show SMILES CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1ccccc1 Show InChI InChI=1S/C23H21N3O2/c1-15-7-6-8-16(11-15)12-20-18-13-19(22(27)14-21(18)25-24-20)23(28)26(2)17-9-4-3-5-10-17/h3-11,13-14,27H,12H2,1-2H3,(H,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50455708
(CHEMBL4209397)Show SMILES COc1ccc(cc1)N(C)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O Show InChI InChI=1S/C24H23N3O3/c1-15-5-4-6-16(11-15)12-21-19-13-20(23(28)14-22(19)26-25-21)24(29)27(2)17-7-9-18(30-3)10-8-17/h4-11,13-14,28H,12H2,1-3H3,(H,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50439621
(GANETESPIB | STA-9090)Show SMILES CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3n(C)ccc3c2)c(O)cc1O Show InChI InChI=1S/C20H20N4O3/c1-11(2)14-9-15(18(26)10-17(14)25)19-21-22-20(27)24(19)13-4-5-16-12(8-13)6-7-23(16)3/h4-11,25-26H,1-3H3,(H,22,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a |
Fujian Medical University (FMU)
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90 (unknown origin) by fluorescence quenching method |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115434
BindingDB Entry DOI: 10.7270/Q2NP280G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50455714
(CHEMBL4202771)Show SMILES CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1ccc(cc1)C(C)=O Show InChI InChI=1S/C25H23N3O3/c1-15-5-4-6-17(11-15)12-22-20-13-21(24(30)14-23(20)27-26-22)25(31)28(3)19-9-7-18(8-10-19)16(2)29/h4-11,13-14,30H,12H2,1-3H3,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50545417
(CHEMBL4638519)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1C\C(=C/c2cccnc2)C(=O)\C(C1)=C\c1cccnc1 Show InChI InChI=1S/C33H24FN5O3/c34-29-10-9-21(16-30-26-7-1-2-8-27(26)32(41)38-37-30)15-28(29)33(42)39-19-24(13-22-5-3-11-35-17-22)31(40)25(20-39)14-23-6-4-12-36-18-23/h1-15,17-18H,16,19-20H2,(H,38,41)/b24-13+,25-14+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a |
Fujian Medical University (FMU)
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90 (unknown origin) by fluorescence quenching method |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115434
BindingDB Entry DOI: 10.7270/Q2NP280G |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50482748
(CHEMBL1253286)Show InChI InChI=1S/C11H9Cl2N3O/c1-17-6-2-3-7(8(12)4-6)9-5-10(13)16-11(14)15-9/h2-5H,1H3,(H2,14,15,16) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a |
Astex Therapeutics, Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetry |
J Med Chem 53: 5942-55 (2010)
Article DOI: 10.1021/jm100059d
BindingDB Entry DOI: 10.7270/Q2QF8WPC |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50545416
(CHEMBL4648686)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1C\C(=C/c2ccccn2)C(=O)\C(C1)=C\c1ccccn1 Show InChI InChI=1S/C33H24FN5O3/c34-29-12-11-21(16-30-26-9-1-2-10-27(26)32(41)38-37-30)15-28(29)33(42)39-19-22(17-24-7-3-5-13-35-24)31(40)23(20-39)18-25-8-4-6-14-36-25/h1-15,17-18H,16,19-20H2,(H,38,41)/b22-17+,23-18+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a |
Fujian Medical University (FMU)
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90 (unknown origin) by fluorescence quenching method |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115434
BindingDB Entry DOI: 10.7270/Q2NP280G |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50455710
(CHEMBL4212405)Show SMILES CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1ccc(OCCCC#N)cc1 Show InChI InChI=1S/C27H26N4O3/c1-18-6-5-7-19(14-18)15-24-22-16-23(26(32)17-25(22)30-29-24)27(33)31(2)20-8-10-21(11-9-20)34-13-4-3-12-28/h5-11,14,16-17,32H,3-4,13,15H2,1-2H3,(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50455732
(CHEMBL4212395)Show SMILES CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C28H30N4O3/c1-19-4-3-5-21(14-19)15-25-23-16-24(27(33)17-26(23)30-29-25)28(34)31(2)22-8-6-20(7-9-22)18-32-10-12-35-13-11-32/h3-9,14,16-17,33H,10-13,15,18H2,1-2H3,(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50455703
(CHEMBL3899438)Show SMILES COc1ccc(CN(C)C(=O)c2cc(-c3n[nH]c(=O)n3-c3ccccc3C)c(O)cc2O)cc1 |(12.98,-.44,;11.95,-1.58,;10.44,-1.26,;9.97,.21,;8.47,.53,;7.43,-.61,;5.93,-.29,;4.89,-1.43,;5.36,-2.89,;3.39,-1.1,;2.92,.36,;2.35,-2.24,;.85,-1.92,;-.19,-3.06,;-1.69,-2.74,;-2.84,-3.76,;-4.17,-2.99,;-3.85,-1.48,;-4.87,-.34,;-2.31,-1.33,;-1.54,0,;;.77,1.33,;.01,2.67,;-1.53,2.67,;-2.31,1.34,;-3.85,1.35,;.29,-4.53,;-.75,-5.67,;1.79,-4.85,;2.82,-3.71,;4.33,-4.03,;7.9,-2.08,;9.41,-2.4,)| Show InChI InChI=1S/C25H24N4O5/c1-15-6-4-5-7-20(15)29-23(26-27-25(29)33)18-12-19(22(31)13-21(18)30)24(32)28(2)14-16-8-10-17(34-3)11-9-16/h4-13,30-31H,14H2,1-3H3,(H,27,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50455689
(CHEMBL4213584)Show SMILES CN(Cc1cccc(c1)-c1cccnc1)C(=O)c1cc(-c2n[nH]c(=O)n2-c2ccccc2C)c(O)cc1O |(29.29,-21.65,;30.44,-20.62,;30.12,-19.12,;28.65,-18.64,;27.52,-19.67,;26.06,-19.2,;25.73,-17.69,;26.88,-16.66,;28.34,-17.13,;26.56,-15.16,;27.7,-14.13,;27.39,-12.63,;25.92,-12.15,;24.77,-13.19,;25.1,-14.69,;31.9,-21.1,;33.05,-20.07,;32.22,-22.61,;33.68,-23.08,;34,-24.59,;35.46,-25.06,;35.94,-26.52,;37.48,-26.52,;37.96,-25.06,;39.42,-24.59,;36.71,-24.15,;36.7,-22.61,;35.37,-21.85,;35.36,-20.31,;36.7,-19.53,;38.04,-20.3,;38.04,-21.84,;39.37,-22.61,;32.87,-25.62,;33.19,-27.12,;31.4,-25.15,;31.08,-23.64,;29.61,-23.16,)| Show InChI InChI=1S/C10H9NO5S3/c11-19(15,16)10-5-9(6-17-10)18(13,14)8-3-1-2-7(12)4-8/h1-6,12H,(H2,11,15,16) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50482745
(CHEMBL1253265)Show InChI InChI=1S/C11H9Cl2N3O/c1-17-8-4-2-3-6(12)10(8)7-5-9(13)16-11(14)15-7/h2-5H,1H3,(H2,14,15,16) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a |
Astex Therapeutics, Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetry |
J Med Chem 53: 5942-55 (2010)
Article DOI: 10.1021/jm100059d
BindingDB Entry DOI: 10.7270/Q2QF8WPC |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50455730
(CHEMBL3899564)Show SMILES CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1ccc(C)cc1 Show InChI InChI=1S/C24H23N3O2/c1-15-7-9-18(10-8-15)27(3)24(29)20-13-19-21(25-26-22(19)14-23(20)28)12-17-6-4-5-16(2)11-17/h4-11,13-14,28H,12H2,1-3H3,(H,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50455716
(CHEMBL4217412)Show SMILES CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1ccc2OCCOc2c1 Show InChI InChI=1S/C25H23N3O4/c1-15-4-3-5-16(10-15)11-20-18-13-19(22(29)14-21(18)27-26-20)25(30)28(2)17-6-7-23-24(12-17)32-9-8-31-23/h3-7,10,12-14,29H,8-9,11H2,1-2H3,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50545415
(CHEMBL4641362)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1C\C(=C/c2ccncc2)C(=O)\C(C1)=C\c1ccncc1 Show InChI InChI=1S/C33H24FN5O3/c34-29-6-5-23(18-30-26-3-1-2-4-27(26)32(41)38-37-30)17-28(29)33(42)39-19-24(15-21-7-11-35-12-8-21)31(40)25(20-39)16-22-9-13-36-14-10-22/h1-17H,18-20H2,(H,38,41)/b24-15+,25-16+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a |
Fujian Medical University (FMU)
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90 (unknown origin) by fluorescence quenching method |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115434
BindingDB Entry DOI: 10.7270/Q2NP280G |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50455701
(CHEMBL4214279)Show SMILES CN(C(=O)c1cc2c(n[nH]c2cc1O)C(=O)N1CCCCC1)c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C25H29N5O4/c1-28(17-5-7-18(8-6-17)29-11-13-34-14-12-29)24(32)20-15-19-21(16-22(20)31)26-27-23(19)25(33)30-9-3-2-4-10-30/h5-8,15-16,31H,2-4,9-14H2,1H3,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50455726
(CHEMBL4210996)Show SMILES CN(C(=O)c1cc2c(CC3CCCCC3)n[nH]c2cc1O)c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C26H32N4O3/c1-29(19-7-9-20(10-8-19)30-11-13-33-14-12-30)26(32)22-16-21-23(15-18-5-3-2-4-6-18)27-28-24(21)17-25(22)31/h7-10,16-18,31H,2-6,11-15H2,1H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50455728
(CHEMBL4214060)Show SMILES COc1cccc(c1)N(C)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O Show InChI InChI=1S/C24H23N3O3/c1-15-6-4-7-16(10-15)11-21-19-13-20(23(28)14-22(19)26-25-21)24(29)27(2)17-8-5-9-18(12-17)30-3/h4-10,12-14,28H,11H2,1-3H3,(H,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50482747
(CHEMBL1253268)Show InChI InChI=1S/C11H9Cl2N3O/c1-17-6-2-3-8(12)7(4-6)9-5-10(13)16-11(14)15-9/h2-5H,1H3,(H2,14,15,16) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a |
Astex Therapeutics, Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetry |
J Med Chem 53: 5942-55 (2010)
Article DOI: 10.1021/jm100059d
BindingDB Entry DOI: 10.7270/Q2QF8WPC |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50455688
(CHEMBL4210536)Show SMILES CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1ccc2N(CCc2c1)C(C)=O Show InChI InChI=1S/C17H22N2O4S2.ClH/c1-11(2)8-19(3)9-13-6-12(4-5-15(13)20)17(21)14-7-16(24-10-14)25(18,22)23;/h4-7,10-11,20H,8-9H2,1-3H3,(H2,18,22,23);1H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50455717
(CHEMBL4206471)Show SMILES CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1ccc2CCN(C(C)=O)c2c1 Show InChI InChI=1S/C27H26N4O3/c1-16-5-4-6-18(11-16)12-23-21-14-22(26(33)15-24(21)29-28-23)27(34)30(3)20-8-7-19-9-10-31(17(2)32)25(19)13-20/h4-8,11,13-15,33H,9-10,12H2,1-3H3,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method |
J Med Chem 61: 4397-4411 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00080
BindingDB Entry DOI: 10.7270/Q2G163FN |
More data for this
Ligand-Target Pair | |
Search and Browse
