Found 18 hits of Enzyme Inhibition Constant Data 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 |
|---|
ATP-dependent molecular chaperone HSP82
(Saccharomyces cerevisiae) | BDBM50409989
(CHEMBL361941)Show SMILES Oc1cc(O)c(cc1Cl)-c1n[nH]cc1-c1ccc(cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H14ClFN2O2/c22-18-9-16(19(26)10-20(18)27)21-17(11-24-25-21)14-3-1-12(2-4-14)13-5-7-15(23)8-6-13/h1-11,26-27H,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of yeast Hsp90 ATPase activity |
Bioorg Med Chem Lett 15: 3338-43 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.046
BindingDB Entry DOI: 10.7270/Q22808T2 |
More data for this
Ligand-Target Pair | |
ATP-dependent molecular chaperone HSP82
(Saccharomyces cerevisiae) | BDBM50409996
(CHEMBL191228)Show InChI InChI=1S/C17H13ClN2O4/c18-12-6-10(13(21)7-14(12)22)17-11(8-19-20-17)9-1-2-15-16(5-9)24-4-3-23-15/h1-2,5-8,21-22H,3-4H2,(H,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of yeast Hsp90 ATPase activity |
Bioorg Med Chem Lett 15: 3338-43 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.046
BindingDB Entry DOI: 10.7270/Q22808T2 |
More data for this
Ligand-Target Pair | |
ATP-dependent molecular chaperone HSP82
(Saccharomyces cerevisiae) | BDBM50409992
(CHEMBL364882)Show InChI InChI=1S/C16H13ClN2O2/c1-9-15(10-5-3-2-4-6-10)16(19-18-9)11-7-12(17)14(21)8-13(11)20/h2-8,20-21H,1H3,(H,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of yeast Hsp90 ATPase activity |
Bioorg Med Chem Lett 15: 3338-43 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.046
BindingDB Entry DOI: 10.7270/Q22808T2 |
More data for this
Ligand-Target Pair | |
ATP-dependent molecular chaperone HSP82
(Saccharomyces cerevisiae) | BDBM50409994
(CHEMBL188495)Show SMILES Oc1cc(O)c(cc1Cl)-c1n[nH]cc1-c1cccc(OCCCC#N)c1 Show InChI InChI=1S/C19H16ClN3O3/c20-16-9-14(17(24)10-18(16)25)19-15(11-22-23-19)12-4-3-5-13(8-12)26-7-2-1-6-21/h3-5,8-11,24-25H,1-2,7H2,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of yeast Hsp90 ATPase activity |
Bioorg Med Chem Lett 15: 3338-43 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.046
BindingDB Entry DOI: 10.7270/Q22808T2 |
More data for this
Ligand-Target Pair | |
ATP-dependent molecular chaperone HSP82
(Saccharomyces cerevisiae) | BDBM50409990
(CHEMBL190249)Show InChI InChI=1S/C17H15ClN2O4/c1-23-15-4-3-9(5-16(15)24-2)11-8-19-20-17(11)10-6-12(18)14(22)7-13(10)21/h3-8,21-22H,1-2H3,(H,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of yeast Hsp90 ATPase activity |
Bioorg Med Chem Lett 15: 3338-43 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.046
BindingDB Entry DOI: 10.7270/Q22808T2 |
More data for this
Ligand-Target Pair | |
ATP-dependent molecular chaperone HSP82
(Saccharomyces cerevisiae) | BDBM20732
((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,...)Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2OC |r,w:16.16,6.6,t:28| Show InChI InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-11,13-14,17,22-24,26,32-34H,12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8?,15-11?,16-9?,18-13+/t17-,22-,23-,24+,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of yeast Hsp90 ATPase activity |
Bioorg Med Chem Lett 15: 3338-43 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.046
BindingDB Entry DOI: 10.7270/Q22808T2 |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
ATP-dependent molecular chaperone HSP82
(Saccharomyces cerevisiae) | BDBM20732
((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,...)Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2OC |r,w:16.16,6.6,t:28| Show InChI InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-11,13-14,17,22-24,26,32-34H,12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8?,15-11?,16-9?,18-13+/t17-,22-,23-,24+,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of yeast Hsp90 ATPase activity |
Bioorg Med Chem Lett 15: 3338-43 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.046
BindingDB Entry DOI: 10.7270/Q22808T2 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
ATP-dependent molecular chaperone HSP82
(Saccharomyces cerevisiae) | BDBM15359
((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-...)Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CC=C |r,w:16.16,38.39,t:28| Show InChI InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-12,15-17,19,24-25,27,29,35-37H,1,13-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9?,18-10?,20-15+,33-12?/t17-,19+,24+,25+,27-,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of yeast Hsp90 ATPase activity |
Bioorg Med Chem Lett 15: 3338-43 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.046
BindingDB Entry DOI: 10.7270/Q22808T2 |
More data for this
Ligand-Target Pair | |
ATP-dependent molecular chaperone HSP82
(Saccharomyces cerevisiae) | BDBM15359
((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-...)Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CC=C |r,w:16.16,38.39,t:28| Show InChI InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-12,15-17,19,24-25,27,29,35-37H,1,13-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9?,18-10?,20-15+,33-12?/t17-,19+,24+,25+,27-,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of yeast Hsp90 ATPase activity |
Bioorg Med Chem Lett 15: 3338-43 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.046
BindingDB Entry DOI: 10.7270/Q22808T2 |
More data for this
Ligand-Target Pair | |
ATP-dependent molecular chaperone HSP82
(Saccharomyces cerevisiae) | BDBM15362
(4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1...)Show SMILES CCc1cc(-c2n[nH]c(C)c2-c2ccc3OCCOc3c2)c(O)cc1O Show InChI InChI=1S/C20H20N2O4/c1-3-12-8-14(16(24)10-15(12)23)20-19(11(2)21-22-20)13-4-5-17-18(9-13)26-7-6-25-17/h4-5,8-10,23-24H,3,6-7H2,1-2H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of yeast Hsp90 ATPase activity |
Bioorg Med Chem Lett 15: 3338-43 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.046
BindingDB Entry DOI: 10.7270/Q22808T2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
ATP-dependent molecular chaperone HSP82
(Saccharomyces cerevisiae) | BDBM15362
(4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1...)Show SMILES CCc1cc(-c2n[nH]c(C)c2-c2ccc3OCCOc3c2)c(O)cc1O Show InChI InChI=1S/C20H20N2O4/c1-3-12-8-14(16(24)10-15(12)23)20-19(11(2)21-22-20)13-4-5-17-18(9-13)26-7-6-25-17/h4-5,8-10,23-24H,3,6-7H2,1-2H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of yeast Hsp90 ATPase activity |
Bioorg Med Chem Lett 15: 3338-43 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.046
BindingDB Entry DOI: 10.7270/Q22808T2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
ATP-dependent molecular chaperone HSP82
(Saccharomyces cerevisiae) | BDBM50409987
(CHEMBL189078)Show SMILES Oc1cc(O)c(cc1Cl)-c1n[nH]cc1-c1ccccc1OCCCC#N Show InChI InChI=1S/C19H16ClN3O3/c20-15-9-13(16(24)10-17(15)25)19-14(11-22-23-19)12-5-1-2-6-18(12)26-8-4-3-7-21/h1-2,5-6,9-11,24-25H,3-4,8H2,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.29E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of yeast Hsp90 ATPase activity |
Bioorg Med Chem Lett 15: 3338-43 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.046
BindingDB Entry DOI: 10.7270/Q22808T2 |
More data for this
Ligand-Target Pair | |
ATP-dependent molecular chaperone HSP82
(Saccharomyces cerevisiae) | BDBM50409995
(CHEMBL187674)Show SMILES CCC(C)c1cc(-c2n[nH]cc2-c2ccc3OCOc3c2)c(O)cc1O Show InChI InChI=1S/C20H20N2O4/c1-3-11(2)13-7-14(17(24)8-16(13)23)20-15(9-21-22-20)12-4-5-18-19(6-12)26-10-25-18/h4-9,11,23-24H,3,10H2,1-2H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of yeast Hsp90 ATPase activity |
Bioorg Med Chem Lett 15: 3338-43 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.046
BindingDB Entry DOI: 10.7270/Q22808T2 |
More data for this
Ligand-Target Pair | |
ATP-dependent molecular chaperone HSP82
(Saccharomyces cerevisiae) | BDBM50409988
(CHEMBL187678)Show InChI InChI=1S/C18H15ClN2O3/c1-10-17(11-2-5-15-16(8-11)24-7-6-23-15)18(21-20-10)13-9-12(19)3-4-14(13)22/h2-5,8-9,22H,6-7H2,1H3,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of yeast Hsp90 ATPase activity |
Bioorg Med Chem Lett 15: 3338-43 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.046
BindingDB Entry DOI: 10.7270/Q22808T2 |
More data for this
Ligand-Target Pair | |
ATP-dependent molecular chaperone HSP82
(Saccharomyces cerevisiae) | BDBM50409986
(CHEMBL190919)Show SMILES CCC(C)c1cc(-c2n[nH]c(C)c2-c2ccc3OCCOc3c2)c(O)cc1O Show InChI InChI=1S/C22H24N2O4/c1-4-12(2)15-10-16(18(26)11-17(15)25)22-21(13(3)23-24-22)14-5-6-19-20(9-14)28-8-7-27-19/h5-6,9-12,25-26H,4,7-8H2,1-3H3,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.61E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of yeast Hsp90 ATPase activity |
Bioorg Med Chem Lett 15: 3338-43 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.046
BindingDB Entry DOI: 10.7270/Q22808T2 |
More data for this
Ligand-Target Pair | |
ATP-dependent molecular chaperone HSP82
(Saccharomyces cerevisiae) | BDBM15363
(4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1...)Show InChI InChI=1S/C18H16N2O4/c1-10-17(11-2-5-15-16(8-11)24-7-6-23-15)18(20-19-10)13-4-3-12(21)9-14(13)22/h2-5,8-9,21-22H,6-7H2,1H3,(H,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of yeast Hsp90 ATPase activity |
Bioorg Med Chem Lett 15: 3338-43 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.046
BindingDB Entry DOI: 10.7270/Q22808T2 |
More data for this
Ligand-Target Pair | |
ATP-dependent molecular chaperone HSP82
(Saccharomyces cerevisiae) | BDBM50409991
(CHEMBL187670)Show SMILES Cc1[nH]nc(c1-c1ccc2OCCOc2c1)-c1ccc(O)c(Cl)c1 Show InChI InChI=1S/C18H15ClN2O3/c1-10-17(11-3-5-15-16(9-11)24-7-6-23-15)18(21-20-10)12-2-4-14(22)13(19)8-12/h2-5,8-9,22H,6-7H2,1H3,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of yeast Hsp90 ATPase activity |
Bioorg Med Chem Lett 15: 3338-43 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.046
BindingDB Entry DOI: 10.7270/Q22808T2 |
More data for this
Ligand-Target Pair | |
ATP-dependent molecular chaperone HSP82
(Saccharomyces cerevisiae) | BDBM50409993
(CHEMBL362576)Show InChI InChI=1S/C18H17ClN2O4/c1-21-9-12(10-4-5-16(24-2)17(6-10)25-3)18(20-21)11-7-13(19)15(23)8-14(11)22/h4-9,22-23H,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of yeast Hsp90 ATPase activity |
Bioorg Med Chem Lett 15: 3338-43 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.046
BindingDB Entry DOI: 10.7270/Q22808T2 |
More data for this
Ligand-Target Pair | |
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