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BDBM279715 US10035797, Compound 70::US10428068, Compound 70::US9630965, Compound 70

SMILES: NC(=O)CCCCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)nccc12

InChI Key: InChIKey=YIBUEKUZOZMWIQ-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 279715   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM279715
PNG
(US10035797, Compound 70 | US10428068, Compound 70 ...)
Show SMILES NC(=O)CCCCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)nccc12
Show InChI InChI=1S/C19H20IN5O3S/c20-11-8-13-14(28-10-27-13)9-15(11)29-19-24-17-12(5-6-23-18(17)22)25(19)7-3-1-2-4-16(21)26/h5-6,8-9H,1-4,7,10H2,(H2,21,26)(H2,22,23)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 550n/an/an/an/a7.3n/a



Curis Inc

US Patent


Assay Description
A fluorescein isothiocyanate (FITC) labeled GM was purchase from InvivoGen (ant-fgl-1). The interaction between HSP90 and labeled GM forms the basis ...


US Patent US10035797 (2018)


Article DOI: 10.1021/jm060519r
BindingDB Entry DOI: 10.7270/Q2MK6FWC
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM279715
PNG
(US10035797, Compound 70 | US10428068, Compound 70 ...)
Show SMILES NC(=O)CCCCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)nccc12
Show InChI InChI=1S/C19H20IN5O3S/c20-11-8-13-14(28-10-27-13)9-15(11)29-19-24-17-12(5-6-23-18(17)22)25(19)7-3-1-2-4-16(21)26/h5-6,8-9H,1-4,7,10H2,(H2,21,26)(H2,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Curis, Inc.

US Patent


Assay Description
HSP90: A fluorescein isothiocyanate (FITC) labeled GM was purchase from InvivoGen (ant-fgl-1). The interaction between HSP90 and labeled GM forms the...


US Patent US10428068 (2019)

More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM279715
PNG
(US10035797, Compound 70 | US10428068, Compound 70 ...)
Show SMILES NC(=O)CCCCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)nccc12
Show InChI InChI=1S/C19H20IN5O3S/c20-11-8-13-14(28-10-27-13)9-15(11)29-19-24-17-12(5-6-23-18(17)22)25(19)7-3-1-2-4-16(21)26/h5-6,8-9H,1-4,7,10H2,(H2,21,26)(H2,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 550n/an/an/an/an/an/a



Curis Inc

US Patent


Assay Description
A fluorescein isothiocyanate (FITC) labeled GM was purchase from InvivoGen (ant-fgl-1). The interaction between HSP90 and labeled GM forms the basis ...


US Patent US9630965 (2017)


Article DOI: 10.1021/jm801292b
BindingDB Entry DOI: 10.7270/Q2SF2Z85
More data for this
Ligand-Target Pair