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Drug SIGnatures DataBase Collection of Annoated Drug / Compound Gene Sets

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Gene Set: D4 : TTD - 17-allylamino-17-desmethoxy-geldanamycin

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Collection	D4 : TTD
Chemical Name	17-allylamino-17-desmethoxy-geldanamycin ( From PubChem : TANESPIMYCIN )
FDA NPC WHO Indian Australia China Traditional Herbal Clinical Trail Not Not Not Not Not Not Not Not
Molecular Weight Hydrogen Bond Donor Count Hydrogen Bond Acceptor Count cLogP Lipinski Rule 585.688 g/mol 4 11 3.9576 False(2/4)
Structure
InChI	InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9+,18-10-,20-15-/t17-,19+,24+,25+,27-,29+/m1/s1
InChIKey	AYUNIORJHRXIBJ-VGEUWQNPSA-N
Links
Gene (10 / 36) ⊖ Less	Source Type Unit Value Gene PMID Assay Other TTD Inhibitor ERBB2 Research target TTD Inhibitor HSP90AA1 Clinical trial target TTD Drug(s) HSP90AA1 Clinical trial target PubChem Potency-Replicate_1 uM 0.119 AR - GI(Protien) : PubChem AR Potency (uM) uM 0.119 AR - GI(Protien) : PubChem Ratio Potency (uM) uM 0.230 AR - GI(Protien) : PubChem Potency-Replicate_1 uM 0.239 AR - GI(Protien) : PubChem ER Potency (uM) uM 0.196 ESR1 - GI(Protien) : PubChem Potency-Replicate_1 uM 0.237 ESR1 - GI(Protien) : PubChem Potency uM 0.067 GMNN - GI(Protien) : PubChem Potency uM 0.252 MTOR - GI(Protien) : PubChem Potency uM 0.515 MTOR - GI(Protien) : PubChem None uM NR3C1 - GI(Protien) : PubChem Potency uM 0.376 TDP1 - GI(Protien) : PubChem Potency uM 1.059 TDP1 - GI(Protien) : ChEMBL Inhibition - HIF1A - Target : CHEMBL4261 ChEMBL Inhibition - HIF1A - Target : CHEMBL4261 ChEMBL Activity - HSP90AA1 - Target : CHEMBL3880 ChEMBL Inhibition - HSP90AA1 - Target : CHEMBL3880 ChEMBL Activity - HSP90AB1 - Target : CHEMBL4303 ChEMBL Activity - HSP90AB1 - Target : CHEMBL4303 ChEMBL Activity - HSP90AB1 - Target : CHEMBL4303 ChEMBL Activity - HSP90AB1 - Target : CHEMBL4303 ChEMBL Activity - HSP90AB1 - Target : CHEMBL4303 ChEMBL Activity - HSP90AB1 - Target : CHEMBL4303 ChEMBL Inhibition - HSP90AB1 - Target : CHEMBL4303 ChEMBL Activity - HSP90AB1 - Target : CHEMBL4303 ChEMBL Activity - HSP90AB1 - Target : CHEMBL4303 ChEMBL Activity - HSP90AB1 - Target : CHEMBL4303 ChEMBL Activity - HSP90AB1 - Target : CHEMBL4303 ChEMBL Activity - HSP90AB1 - Target : CHEMBL4303 ChEMBL Activity - HSP90AB1 - Target : CHEMBL4303 ChEMBL Activity - HSP90AB1 - Target : CHEMBL4303 ChEMBL Activity - HSP90AB1 - Target : CHEMBL4303 ChEMBL Activity - HSP90AB1 - Target : CHEMBL4303 ChEMBL Activity - HSP90AB1 - Target : CHEMBL4303
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