BDBM50340251 CHEMBL1760603
SMILES: C[C@H]1CCNCCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N1)c2
InChI Key: InChIKey=SBTPIZYWNCHNOG-AWEZNQCLSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50340251 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
(Homo sapiens (Human)) | BDBM50340251
(CHEMBL1760603)Show SMILES C[C@H]1CCNCCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N1)c2 |r| Show InChI InChI=1S/C24H32N4O2/c1-14-7-9-26-10-8-19-15(2)22-20(12-24(3,4)13-21(22)29)28(19)16-5-6-17(23(25)30)18(11-16)27-14/h5-6,11,14,26-27H,7-10,12-13H2,1-4H3,(H2,25,30)/t14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay |
Bioorg Med Chem Lett 21: 4602-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50340251
(CHEMBL1760603)Show SMILES C[C@H]1CCNCCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N1)c2 |r| Show InChI InChI=1S/C24H32N4O2/c1-14-7-9-26-10-8-19-15(2)22-20(12-24(3,4)13-21(22)29)28(19)16-5-6-17(23(25)30)18(11-16)27-14/h5-6,11,14,26-27H,7-10,12-13H2,1-4H3,(H2,25,30)/t14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90alpha after 3 hrs by fluorescence polarization assay |
Bioorg Med Chem Lett 21: 2278-82 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.101
BindingDB Entry DOI: 10.7270/Q2RF5VBN |
More data for this
Ligand-Target Pair | |
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