Found 35 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 |
|---|
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030851
(CHEMBL3342721)Show SMILES CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN3CCCCC3)cc2)c(O)cc1O Show InChI InChI=1S/C28H33N3O4/c1-17(2)21-14-22(24(33)15-23(21)32)26-25(28(35-30-26)29-27(34)20-10-11-20)19-8-6-18(7-9-19)16-31-12-4-3-5-13-31/h6-9,14-15,17,20,32-33H,3-5,10-13,16H2,1-2H3,(H,29,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030852
(CHEMBL3342722)Show SMILES CCN(CC)Cc1ccc(cc1)-c1c(NC(=O)C2CC2)onc1-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C27H33N3O4/c1-5-30(6-2)15-17-7-9-18(10-8-17)24-25(29-34-27(24)28-26(33)19-11-12-19)21-13-20(16(3)4)22(31)14-23(21)32/h7-10,13-14,16,19,31-32H,5-6,11-12,15H2,1-4H3,(H,28,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030849
(CHEMBL3342597)Show SMILES COc1ccc(cc1)-c1c(NC(=O)C2CC2)onc1-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C23H24N2O5/c1-12(2)16-10-17(19(27)11-18(16)26)21-20(13-6-8-15(29-3)9-7-13)23(30-25-21)24-22(28)14-4-5-14/h6-12,14,26-27H,4-5H2,1-3H3,(H,24,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM20926
(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H31N3O5/c1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31/h5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030850
(CHEMBL3342720)Show SMILES CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN3CCOCC3)cc2)c(O)cc1O Show InChI InChI=1S/C27H31N3O5/c1-16(2)20-13-21(23(32)14-22(20)31)25-24(27(35-29-25)28-26(33)19-7-8-19)18-5-3-17(4-6-18)15-30-9-11-34-12-10-30/h3-6,13-14,16,19,31-32H,7-12,15H2,1-2H3,(H,28,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030853
(CHEMBL3342723)Show SMILES CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN3CCN(C)CC3)cc2)c(O)cc1O Show InChI InChI=1S/C28H34N4O4/c1-17(2)21-14-22(24(34)15-23(21)33)26-25(28(36-30-26)29-27(35)20-8-9-20)19-6-4-18(5-7-19)16-32-12-10-31(3)11-13-32/h4-7,14-15,17,20,33-34H,8-13,16H2,1-3H3,(H,29,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030855
(CHEMBL3342728)Show SMILES CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN3CC(C)OC(C)C3)cc2)c(O)cc1O Show InChI InChI=1S/C29H35N3O5/c1-16(2)22-11-23(25(34)12-24(22)33)27-26(29(37-31-27)30-28(35)21-9-10-21)20-7-5-19(6-8-20)15-32-13-17(3)36-18(4)14-32/h5-8,11-12,16-18,21,33-34H,9-10,13-15H2,1-4H3,(H,30,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030862
(CHEMBL3342735)Show SMILES CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN3CCC(CC3)N3CCOCC3)cc2)c(O)cc1O Show InChI InChI=1S/C32H40N4O5/c1-20(2)25-17-26(28(38)18-27(25)37)30-29(32(41-34-30)33-31(39)23-7-8-23)22-5-3-21(4-6-22)19-35-11-9-24(10-12-35)36-13-15-40-16-14-36/h3-6,17-18,20,23-24,37-38H,7-16,19H2,1-2H3,(H,33,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030871
(CHEMBL3342586)Show SMILES COc1ccc(cc1)-c1c(NC(=O)CC(C)C)onc1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C21H21ClN2O5/c1-11(2)8-18(27)23-21-19(12-4-6-13(28-3)7-5-12)20(24-29-21)14-9-15(22)17(26)10-16(14)25/h4-7,9-11,25-26H,8H2,1-3H3,(H,23,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030857
(CHEMBL3342730)Show SMILES CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN3CCCCC3C)cc2)c(O)cc1O Show InChI InChI=1S/C29H35N3O4/c1-17(2)22-14-23(25(34)15-24(22)33)27-26(29(36-31-27)30-28(35)21-11-12-21)20-9-7-19(8-10-20)16-32-13-5-4-6-18(32)3/h7-10,14-15,17-18,21,33-34H,4-6,11-13,16H2,1-3H3,(H,30,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030874
(CHEMBL3342725)Show SMILES CC(C)N(Cc1ccc(cc1)-c1c(NC(=O)C2CC2)onc1-c1cc(C(C)C)c(O)cc1O)C(C)C Show InChI InChI=1S/C29H37N3O4/c1-16(2)22-13-23(25(34)14-24(22)33)27-26(29(36-31-27)30-28(35)21-11-12-21)20-9-7-19(8-10-20)15-32(17(3)4)18(5)6/h7-10,13-14,16-18,21,33-34H,11-12,15H2,1-6H3,(H,30,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030854
(CHEMBL3342727)Show SMILES CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN3CCc4ccccc4C3)cc2)c(O)cc1O Show InChI InChI=1S/C32H33N3O4/c1-19(2)25-15-26(28(37)16-27(25)36)30-29(32(39-34-30)33-31(38)23-11-12-23)22-9-7-20(8-10-22)17-35-14-13-21-5-3-4-6-24(21)18-35/h3-10,15-16,19,23,36-37H,11-14,17-18H2,1-2H3,(H,33,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030867
(CHEMBL3342582)Show SMILES CCC(=O)Nc1onc(c1-c1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C19H17ClN2O5/c1-3-16(25)21-19-17(10-4-6-11(26-2)7-5-10)18(22-27-19)12-8-13(20)15(24)9-14(12)23/h4-9,23-24H,3H2,1-2H3,(H,21,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030865
(CHEMBL3342584)Show SMILES COc1ccc(cc1)-c1c(NC(=O)C(C)C)onc1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C20H19ClN2O5/c1-10(2)19(26)22-20-17(11-4-6-12(27-3)7-5-11)18(23-28-20)13-8-14(21)16(25)9-15(13)24/h4-10,24-25H,1-3H3,(H,22,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030863
(CHEMBL3342585)Show SMILES COc1ccc(cc1)-c1c(NC(=O)C(C)(C)C)onc1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C21H21ClN2O5/c1-21(2,3)20(27)23-19-17(11-5-7-12(28-4)8-6-11)18(24-29-19)13-9-14(22)16(26)10-15(13)25/h5-10,25-26H,1-4H3,(H,23,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030847
(CHEMBL3342595)Show SMILES CCc1cc(-c2noc(NC(C)=O)c2-c2ccc(OC)cc2)c(O)cc1O Show InChI InChI=1S/C20H20N2O5/c1-4-12-9-15(17(25)10-16(12)24)19-18(20(27-22-19)21-11(2)23)13-5-7-14(26-3)8-6-13/h5-10,24-25H,4H2,1-3H3,(H,21,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030872
(CHEMBL3342587)Show SMILES CCCCCCCC(=O)Nc1onc(c1-c1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C24H27ClN2O5/c1-3-4-5-6-7-8-21(30)26-24-22(15-9-11-16(31-2)12-10-15)23(27-32-24)17-13-18(25)20(29)14-19(17)28/h9-14,28-29H,3-8H2,1-2H3,(H,26,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030845
(CHEMBL3342593)Show SMILES COc1ccc(cc1)-c1c(NC(C)=O)onc1-c1cc(Br)c(O)cc1O Show InChI InChI=1S/C18H15BrN2O5/c1-9(22)20-18-16(10-3-5-11(25-2)6-4-10)17(21-26-18)12-7-13(19)15(24)8-14(12)23/h3-8,23-24H,1-2H3,(H,20,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030861
(CHEMBL3342734)Show SMILES CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN3CCC(CC3)N3CCCC3)cc2)c(O)cc1O Show InChI InChI=1S/C32H40N4O4/c1-20(2)25-17-26(28(38)18-27(25)37)30-29(32(40-34-30)33-31(39)23-9-10-23)22-7-5-21(6-8-22)19-35-15-11-24(12-16-35)36-13-3-4-14-36/h5-8,17-18,20,23-24,37-38H,3-4,9-16,19H2,1-2H3,(H,33,39) | 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 | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030842
(CHEMBL3342590)Show SMILES COc1ccc(cc1)-c1c(NC(=O)C2CCCC2)onc1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C22H21ClN2O5/c1-29-14-8-6-12(7-9-14)19-20(15-10-16(23)18(27)11-17(15)26)25-30-22(19)24-21(28)13-4-2-3-5-13/h6-11,13,26-27H,2-5H2,1H3,(H,24,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030856
(CHEMBL3342729)Show SMILES CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN3CC(C)CC(C)C3)cc2)c(O)cc1O Show InChI InChI=1S/C30H37N3O4/c1-17(2)23-12-24(26(35)13-25(23)34)28-27(30(37-32-28)31-29(36)22-9-10-22)21-7-5-20(6-8-21)16-33-14-18(3)11-19(4)15-33/h5-8,12-13,17-19,22,34-35H,9-11,14-16H2,1-4H3,(H,31,36) | 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 | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030870
(CHEMBL3342580)Show InChI InChI=1S/C16H13ClN2O4/c1-22-9-4-2-8(3-5-9)14-15(19-23-16(14)18)10-6-11(17)13(21)7-12(10)20/h2-7,20-21H,18H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030839
(CHEMBL3342588)Show SMILES COc1ccc(cc1)-c1c(NC(=O)C2CC2)onc1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C20H17ClN2O5/c1-27-12-6-4-10(5-7-12)17-18(13-8-14(21)16(25)9-15(13)24)23-28-20(17)22-19(26)11-2-3-11/h4-9,11,24-25H,2-3H2,1H3,(H,22,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030859
(CHEMBL3342732)Show SMILES CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN(C)CCN(C)C)cc2)c(O)cc1O Show InChI InChI=1S/C28H36N4O4/c1-17(2)21-14-22(24(34)15-23(21)33)26-25(28(36-30-26)29-27(35)20-10-11-20)19-8-6-18(7-9-19)16-32(5)13-12-31(3)4/h6-9,14-15,17,20,33-34H,10-13,16H2,1-5H3,(H,29,35) | 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 | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030873
(CHEMBL3342724)Show SMILES CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN3CCSCC3)cc2)c(O)cc1O Show InChI InChI=1S/C27H31N3O4S/c1-16(2)20-13-21(23(32)14-22(20)31)25-24(27(34-29-25)28-26(33)19-7-8-19)18-5-3-17(4-6-18)15-30-9-11-35-12-10-30/h3-6,13-14,16,19,31-32H,7-12,15H2,1-2H3,(H,28,33) | 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 | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030860
(CHEMBL3342733)Show SMILES CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN(C)C3CCCCC3)cc2)c(O)cc1O Show InChI InChI=1S/C30H37N3O4/c1-18(2)23-15-24(26(35)16-25(23)34)28-27(30(37-32-28)31-29(36)21-13-14-21)20-11-9-19(10-12-20)17-33(3)22-7-5-4-6-8-22/h9-12,15-16,18,21-22,34-35H,4-8,13-14,17H2,1-3H3,(H,31,36) | 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 | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030844
(CHEMBL3342592)Show SMILES CCNC(=O)Nc1onc(c1-c1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C19H18ClN3O5/c1-3-21-19(26)22-18-16(10-4-6-11(27-2)7-5-10)17(23-28-18)12-8-13(20)15(25)9-14(12)24/h4-9,24-25H,3H2,1-2H3,(H2,21,22,26) | 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 | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030866
(CHEMBL3342583)Show SMILES CCCC(=O)Nc1onc(c1-c1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C20H19ClN2O5/c1-3-4-17(26)22-20-18(11-5-7-12(27-2)8-6-11)19(23-28-20)13-9-14(21)16(25)10-15(13)24/h5-10,24-25H,3-4H2,1-2H3,(H,22,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030858
(CHEMBL3342731)Show SMILES CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN3CCC(CC3)N(C)C)cc2)c(O)cc1O Show InChI InChI=1S/C30H38N4O4/c1-18(2)23-15-24(26(36)16-25(23)35)28-27(30(38-32-28)31-29(37)21-9-10-21)20-7-5-19(6-8-20)17-34-13-11-22(12-14-34)33(3)4/h5-8,15-16,18,21-22,35-36H,9-14,17H2,1-4H3,(H,31,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030869
(CHEMBL3342581)Show SMILES COc1ccc(cc1)-c1c(NC(C)=O)onc1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C18H15ClN2O5/c1-9(22)20-18-16(10-3-5-11(25-2)6-4-10)17(21-26-18)12-7-13(19)15(24)8-14(12)23/h3-8,23-24H,1-2H3,(H,20,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030840
(CHEMBL3342589)Show SMILES COc1ccc(cc1)-c1c(NC(=O)C2CCC2)onc1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C21H19ClN2O5/c1-28-13-7-5-11(6-8-13)18-19(14-9-15(22)17(26)10-16(14)25)24-29-21(18)23-20(27)12-3-2-4-12/h5-10,12,25-26H,2-4H2,1H3,(H,23,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030875
(CHEMBL3342726)Show SMILES CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN(C)CCc3ccccc3)cc2)c(O)cc1O Show InChI InChI=1S/C32H35N3O4/c1-20(2)25-17-26(28(37)18-27(25)36)30-29(32(39-34-30)33-31(38)24-13-14-24)23-11-9-22(10-12-23)19-35(3)16-15-21-7-5-4-6-8-21/h4-12,17-18,20,24,36-37H,13-16,19H2,1-3H3,(H,33,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030846
(CHEMBL3342594)Show InChI InChI=1S/C18H16N2O5/c1-10(21)19-18-16(11-3-6-13(24-2)7-4-11)17(20-25-18)14-8-5-12(22)9-15(14)23/h3-9,22-23H,1-2H3,(H,19,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030843
(CHEMBL3342591)Show SMILES COc1ccc(cc1)-c1c(NC(=O)C2CCCCC2)onc1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C23H23ClN2O5/c1-30-15-9-7-13(8-10-15)20-21(16-11-17(24)19(28)12-18(16)27)26-31-23(20)25-22(29)14-5-3-2-4-6-14/h7-12,14,27-28H,2-6H2,1H3,(H,25,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50030848
(CHEMBL3342596)Show SMILES COc1ccc(cc1)-c1c(NC(C)=O)onc1-c1cc(c(O)cc1O)C(C)(C)C Show InChI InChI=1S/C22H24N2O5/c1-12(25)23-21-19(13-6-8-14(28-5)9-7-13)20(24-29-21)15-10-16(22(2,3)4)18(27)11-17(15)26/h6-11,26-27H,1-5H3,(H,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay |
Eur J Med Chem 87: 765-81 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.065
BindingDB Entry DOI: 10.7270/Q2TX3GZV |
More data for this
Ligand-Target Pair | |
Search and Browse
