Found 23 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-beta
(Homo sapiens (Human)) | BDBM50379853
(CHEMBL2011854)Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(C)nc(N)nc2c1 Show InChI InChI=1S/C20H22N4O/c1-11-10-24(16-8-20(3,4)9-17(25)18(11)16)13-5-6-14-12(2)22-19(21)23-15(14)7-13/h5-7,10H,8-9H2,1-4H3,(H2,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HSP90-mediated Her2 degradation in human AU565 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379853
(CHEMBL2011854)Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(C)nc(N)nc2c1 Show InChI InChI=1S/C20H22N4O/c1-11-10-24(16-8-20(3,4)9-17(25)18(11)16)13-5-6-14-12(2)22-19(21)23-15(14)7-13/h5-7,10H,8-9H2,1-4H3,(H2,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 in human A375 cells assessed as induction of HSP70 synthesis after 24 hrs by TRITC assay |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379853
(CHEMBL2011854)Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(C)nc(N)nc2c1 Show InChI InChI=1S/C20H22N4O/c1-11-10-24(16-8-20(3,4)9-17(25)18(11)16)13-5-6-14-12(2)22-19(21)23-15(14)7-13/h5-7,10H,8-9H2,1-4H3,(H2,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HSP90-mediated pS6 phosphorylation in human A375 cells after 24 hrs by TRITC assay |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379853
(CHEMBL2011854)Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(C)nc(N)nc2c1 Show InChI InChI=1S/C20H22N4O/c1-11-10-24(16-8-20(3,4)9-17(25)18(11)16)13-5-6-14-12(2)22-19(21)23-15(14)7-13/h5-7,10H,8-9H2,1-4H3,(H2,21,22,23) | PDB
MMDB
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 |
Serenex Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HSP90-mediated Erk phosphorylation in human AU565 cells after 24 hrs by TRITC assay |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379848
(CHEMBL2011850)Show SMILES CCCCSc1c(ccc2c(N)ncnc12)-n1cc(C)c2c1CC(C)(C)CC2=O Show InChI InChI=1S/C23H28N4OS/c1-5-6-9-29-21-16(8-7-15-20(21)25-13-26-22(15)24)27-12-14(2)19-17(27)10-23(3,4)11-18(19)28/h7-8,12-13H,5-6,9-11H2,1-4H3,(H2,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 401 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HSP90-mediated Her2 degradation in human SKBR3 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379854
(CHEMBL2011855)Show SMILES Cc1c(C)n(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)ncnc2c1 Show InChI InChI=1S/C20H22N4O/c1-11-12(2)24(16-8-20(3,4)9-17(25)18(11)16)13-5-6-14-15(7-13)22-10-23-19(14)21/h5-7,10H,8-9H2,1-4H3,(H2,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 498 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HSP90-mediated Her2 degradation in human AU565 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379841
(CHEMBL2011843)Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)ncnc2c1 Show InChI InChI=1S/C19H20N4O/c1-11-9-23(15-7-19(2,3)8-16(24)17(11)15)12-4-5-13-14(6-12)21-10-22-18(13)20/h4-6,9-10H,7-8H2,1-3H3,(H2,20,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 568 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HSP90-mediated Her2 degradation in human SKBR3 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379845
(CHEMBL2011847)Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)ncnc2c1F Show InChI InChI=1S/C19H19FN4O/c1-10-8-24(13-6-19(2,3)7-14(25)15(10)13)12-5-4-11-17(16(12)20)22-9-23-18(11)21/h4-5,8-9H,6-7H2,1-3H3,(H2,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 665 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HSP90-mediated Her2 degradation in human SKBR3 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379840
(CHEMBL2011853)Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2cnc(N)nc2c1 Show InChI InChI=1S/C19H20N4O/c1-11-10-23(15-7-19(2,3)8-16(24)17(11)15)13-5-4-12-9-21-18(20)22-14(12)6-13/h4-6,9-10H,7-8H2,1-3H3,(H2,20,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 705 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HSP90-mediated Her2 degradation in human AU565 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379842
(CHEMBL2011845)Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)nc(C)nc2c1 Show InChI InChI=1S/C20H22N4O/c1-11-10-24(16-8-20(3,4)9-17(25)18(11)16)13-5-6-14-15(7-13)22-12(2)23-19(14)21/h5-7,10H,8-9H2,1-4H3,(H2,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 731 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HSP90-mediated Her2 degradation in human SKBR3 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379843
(CHEMBL2011846)Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)nc(N)nc2c1 Show InChI InChI=1S/C19H21N5O/c1-10-9-24(14-7-19(2,3)8-15(25)16(10)14)11-4-5-12-13(6-11)22-18(21)23-17(12)20/h4-6,9H,7-8H2,1-3H3,(H4,20,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HSP90-mediated Her2 degradation in human SKBR3 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379849
(CHEMBL2011851)Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)ncnc2c1SCC=C Show InChI InChI=1S/C22H24N4OS/c1-5-8-28-20-15(7-6-14-19(20)24-12-25-21(14)23)26-11-13(2)18-16(26)9-22(3,4)10-17(18)27/h5-7,11-12H,1,8-10H2,2-4H3,(H2,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HSP90-mediated Her2 degradation in human SKBR3 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379857
(CHEMBL2011858)Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)ncnc2c1F Show InChI InChI=1S/C18H18FN5O/c1-9-14-12(6-18(2,3)7-13(14)25)24(23-9)11-5-4-10-16(15(11)19)21-8-22-17(10)20/h4-5,8H,6-7H2,1-3H3,(H2,20,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HSP90-mediated Her2 degradation in human AU565 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379855
(CHEMBL2011856)Show SMILES CCc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)ncnc2c1 Show InChI InChI=1S/C19H21N5O/c1-4-13-17-15(8-19(2,3)9-16(17)25)24(23-13)11-5-6-12-14(7-11)21-10-22-18(12)20/h5-7,10H,4,8-9H2,1-3H3,(H2,20,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HSP90-mediated Her2 degradation in human AU565 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379852
(CHEMBL2011844)Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)ncnc2c1 Show InChI InChI=1S/C18H19N5O/c1-10-16-14(7-18(2,3)8-15(16)24)23(22-10)11-4-5-12-13(6-11)20-9-21-17(12)19/h4-6,9H,7-8H2,1-3H3,(H2,19,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HSP90-mediated Her2 degradation in human AU565 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379846
(CHEMBL2011848)Show SMILES CCCCOc1c(ccc2c(N)ncnc12)-n1cc(C)c2c1CC(C)(C)CC2=O Show InChI InChI=1S/C23H28N4O2/c1-5-6-9-29-21-16(8-7-15-20(21)25-13-26-22(15)24)27-12-14(2)19-17(27)10-23(3,4)11-18(19)28/h7-8,12-13H,5-6,9-11H2,1-4H3,(H2,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HSP90-mediated Her2 degradation in human SKBR3 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379847
(CHEMBL2011849)Show SMILES CCCCNc1c(ccc2c(N)ncnc12)-n1cc(C)c2c1CC(C)(C)CC2=O Show InChI InChI=1S/C23H29N5O/c1-5-6-9-25-21-16(8-7-15-20(21)26-13-27-22(15)24)28-12-14(2)19-17(28)10-23(3,4)11-18(19)29/h7-8,12-13,25H,5-6,9-11H2,1-4H3,(H2,24,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HSP90-mediated Her2 degradation in human SKBR3 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379851
(CHEMBL2011842)Show InChI InChI=1S/C19H20N4O/c1-11-6-14-16(8-19(2,3)9-17(14)24)23(11)12-4-5-13-15(7-12)21-10-22-18(13)20/h4-7,10H,8-9H2,1-3H3,(H2,20,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HSP90-mediated Her2 degradation in human AU565 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379858
(CHEMBL2011859)Show SMILES CCSc1cc(cc2nc(N)nc(N)c12)-n1cc(C)c2c1CC(C)(C)CC2=O Show InChI InChI=1S/C21H25N5OS/c1-5-28-16-7-12(6-13-18(16)19(22)25-20(23)24-13)26-10-11(2)17-14(26)8-21(3,4)9-15(17)27/h6-7,10H,5,8-9H2,1-4H3,(H4,22,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.68E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HSP90-mediated Her2 degradation in human AU565 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379856
(CHEMBL2011857)Show SMILES CC1(C)Cc2c(c(nn2-c2ccc3c(N)ncnc3c2)C(F)(F)F)C(=O)C1 Show InChI InChI=1S/C18H16F3N5O/c1-17(2)6-12-14(13(27)7-17)15(18(19,20)21)25-26(12)9-3-4-10-11(5-9)23-8-24-16(10)22/h3-5,8H,6-7H2,1-2H3,(H2,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HSP90-mediated Her2 degradation in human AU565 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379850
(CHEMBL2011852)Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)ncnc2c1SCCN Show InChI InChI=1S/C21H25N5OS/c1-12-10-26(15-8-21(2,3)9-16(27)17(12)15)14-5-4-13-18(19(14)28-7-6-22)24-11-25-20(13)23/h4-5,10-11H,6-9,22H2,1-3H3,(H2,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HSP90-mediated Her2 degradation in human SKBR3 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379844
(CHEMBL2010814)Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1cc(F)c2c(N)ncnc2c1 Show InChI InChI=1S/C19H19FN4O/c1-10-8-24(14-6-19(2,3)7-15(25)16(10)14)11-4-12(20)17-13(5-11)22-9-23-18(17)21/h4-5,8-9H,6-7H2,1-3H3,(H2,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HSP90-mediated Her2 degradation in human SKBR3 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50379859
(CHEMBL2011860)Show SMILES COc1cc(cc2ncnc(N)c12)-n1cc(C)c2c1CC(C)(C)CC2=O Show InChI InChI=1S/C20H22N4O2/c1-11-9-24(14-7-20(2,3)8-15(25)17(11)14)12-5-13-18(16(6-12)26-4)19(21)23-10-22-13/h5-6,9-10H,7-8H2,1-4H3,(H2,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Serenex Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HSP90-mediated Her2 degradation in human AU565 cells after 24 hrs by ELISA |
Bioorg Med Chem Lett 22: 2550-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB |
More data for this
Ligand-Target Pair | |
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