Found 9 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)) | 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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 60 | -41.2 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Abbott Laboratories
| Assay Description
HSP90 inhibitors identified using Fluorescence resonance energy transfer assay. |
Chem Biol Drug Des 70: 1-12 (2007)
Article DOI: 10.1111/j.1747-0285.2007.00535.x
BindingDB Entry DOI: 10.7270/Q25X27DH |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM81730
(HSP90 Inhibitor, 4)Show InChI InChI=1S/C11H9Cl2N3/c1-6-4-10(16-11(14)15-6)8-3-2-7(12)5-9(8)13/h2-5H,1H3,(H2,14,15,16) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 170 | -38.6 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Abbott Laboratories
| Assay Description
HSP90 inhibitors identified using Fluorescence resonance energy transfer assay. |
Chem Biol Drug Des 70: 1-12 (2007)
Article DOI: 10.1111/j.1747-0285.2007.00535.x
BindingDB Entry DOI: 10.7270/Q25X27DH |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM81729
(HSP90 Inhibitor, 1 | hsp90_125)Show InChI InChI=1S/C13H10BrN5/c14-10-6-8-4-2-1-3-7(8)5-9(10)11-17-12(15)19-13(16)18-11/h1-6H,(H4,15,16,17,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| MMDB
PDB
Article
PubMed
| 320 | -37.1 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Abbott Laboratories
| Assay Description
HSP90 inhibitors identified using Fluorescence resonance energy transfer assay. |
Chem Biol Drug Des 70: 1-12 (2007)
Article DOI: 10.1111/j.1747-0285.2007.00535.x
BindingDB Entry DOI: 10.7270/Q25X27DH |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM81732
(HSP90 Inhibitor, 6)Show SMILES Cc1cc(CNS(=O)(=O)c2ccc(NC=C3CCOC3=O)cc2)nc(N)n1 |w:14.13| Show InChI InChI=1S/C17H19N5O4S/c1-11-8-14(22-17(18)21-11)10-20-27(24,25)15-4-2-13(3-5-15)19-9-12-6-7-26-16(12)23/h2-5,8-9,19-20H,6-7,10H2,1H3,(H2,18,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.90E+3 | -32.7 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Abbott Laboratories
| Assay Description
HSP90 inhibitors identified using Fluorescence resonance energy transfer assay. |
Chem Biol Drug Des 70: 1-12 (2007)
Article DOI: 10.1111/j.1747-0285.2007.00535.x
BindingDB Entry DOI: 10.7270/Q25X27DH |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM81733
(HSP90 Inhibitor, 7)Show InChI InChI=1S/C17H17N5O2/c1-12-10-15(21-16(18)20-12)7-6-13-4-2-3-5-14(13)11-19-22-8-9-24-17(22)23/h2-7,10-11H,8-9H2,1H3,(H2,18,20,21)/b7-6?,19-11+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.00E+3 | -30.8 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Abbott Laboratories
| Assay Description
HSP90 inhibitors identified using Fluorescence resonance energy transfer assay. |
Chem Biol Drug Des 70: 1-12 (2007)
Article DOI: 10.1111/j.1747-0285.2007.00535.x
BindingDB Entry DOI: 10.7270/Q25X27DH |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50270588
(4-METHYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-AMINE | CH...)Show InChI InChI=1S/C6H6F3N3/c1-3-2-4(6(7,8)9)12-5(10)11-3/h2H,1H3,(H2,10,11,12) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| MMDB
PDB
Article
PubMed
| 1.80E+4 | -27.1 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Abbott Laboratories
| Assay Description
HSP90 inhibitors identified using Fluorescence resonance energy transfer assay. |
Chem Biol Drug Des 70: 1-12 (2007)
Article DOI: 10.1111/j.1747-0285.2007.00535.x
BindingDB Entry DOI: 10.7270/Q25X27DH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM81729
(HSP90 Inhibitor, 1 | hsp90_125)Show InChI InChI=1S/C13H10BrN5/c14-10-6-8-4-2-1-3-7(8)5-9(10)11-17-12(15)19-13(16)18-11/h1-6H,(H4,15,16,17,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| MMDB
PDB
Article
PubMed
| n/a | n/a | n/a | <1.00E+4 | n/a | n/a | n/a | 7.5 | 25 |
Abbott Laboratories
| Assay Description
HSP90 inhibitors identified using NMR fragment-based screening assay. |
Chem Biol Drug Des 70: 1-12 (2007)
Article DOI: 10.1111/j.1747-0285.2007.00535.x
BindingDB Entry DOI: 10.7270/Q25X27DH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50270609
((3E)-3-[(phenylamino)methylidene]dihydrofuran-2(3H...)Show InChI InChI=1S/C11H11NO2/c13-11-9(6-7-14-11)8-12-10-4-2-1-3-5-10/h1-5,8,12H,6-7H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.50E+5 | n/a | n/a | n/a | 7.5 | 25 |
Abbott Laboratories
| Assay Description
HSP90 inhibitors identified using NMR fragment-based screening assay. |
Chem Biol Drug Des 70: 1-12 (2007)
Article DOI: 10.1111/j.1747-0285.2007.00535.x
BindingDB Entry DOI: 10.7270/Q25X27DH |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50270588
(4-METHYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-AMINE | CH...)Show InChI InChI=1S/C6H6F3N3/c1-3-2-4(6(7,8)9)12-5(10)11-3/h2H,1H3,(H2,10,11,12) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| MMDB
PDB
Article
PubMed
| n/a | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | 7.5 | 25 |
Abbott Laboratories
| Assay Description
HSP90 inhibitors identified using NMR fragment-based screening assay. |
Chem Biol Drug Des 70: 1-12 (2007)
Article DOI: 10.1111/j.1747-0285.2007.00535.x
BindingDB Entry DOI: 10.7270/Q25X27DH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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