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Drug SIGnatures DataBase Collection of Annoated Drug / Compound Gene Sets

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Gene Set: D4 : CTD - 17-(dimethylaminoethylamino)-17-demethoxygeldanamycin

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Collection	D4 : CTD
Chemical Name	17-(dimethylaminoethylamino)-17-demethoxygeldanamycin ( From PubChem : ALVESPIMYCIN )
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 616.746 g/mol 4 12 3.3332 False(2/4)
Structure
InChI	InChI=1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9+,19-10-,21-16-/t18-,20+,25+,26+,28-,30+/m1/s1
InChIKey	KUFRQPKVAWMTJO-QZCVZMHSSA-N
Links
Gene (18 / 32) ⊖ Less	Source Type Unit Value Gene PMID Assay Other CTD decreases(stability) ALK C448659 CTD increases(phosphorylation) BUB1B C448659 CTD increases(reaction) BUB1B C448659 CTD decreases(reaction) CASP3 C448659 CTD increases(activity) CASP3 C448659 CTD increases(cleavage) CASP9 C448659 CTD increases(reaction) CASP9 C448659 CTD affects(cotreatment) CCND1 C448659 CTD decreases(expression) CCND1 C448659 CTD affects(cotreatment) CDK4 C448659 CTD decreases(expression) CDK4 C448659 CTD increases(expression) CDKN1A C448659 CTD increases(expression) CDKN1B C448659 CTD decreases(reaction) CHEK1 C448659 CTD increases(phosphorylation) CHEK1 C448659 CTD decreases(expression) CHEK1 C448659 CTD decreases(stability) EML4 C448659 CTD affects(cotreatment) MYC C448659 CTD decreases(expression) MYC C448659 CTD decreases(reaction) NQO1 C448659 CTD increases(reduction) NQO1 C448659 CTD increases(cleavage) PARP1 C448659 CTD increases(reaction) PARP1 C448659 CTD increases(expression) PTTG1 C448659 CTD increases(reaction) PTTG1 C448659 CTD affects(cotreatment) RAF1 C448659 CTD decreases(expression) RAF1 C448659 CTD decreases(reaction) TLR4 C448659 CTD increases(activity) TLR4 C448659 CTD affects(response to substance) TP53 C448659 ChEMBL Activity - HSP90AB1 - Target : CHEMBL4303 ChEMBL Inhibition - HSP90AB1 - Target : CHEMBL4303
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