BDBM50008057 BMS-722782::CHEBI:64153::TANESPIMYCIN

SMILES CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O

InChI Key InChIKey=AYUNIORJHRXIBJ-TXHRRWQRSA-N

Data  1 KI  28 IC50  4 Kd  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50008057   

TargetBreakpoint cluster region protein/Tyrosine-protein kinase ABL1(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50008057(BMS-722782 | CHEBI:64153 | TANESPIMYCIN)
Affinity DataIC50:  5.00E+3nMAssay Description:Inhibition of BCR-ABL (unknown origin) expressed in mouse BA/F3 cells assessed as decrease in cell viability after 48 hrs by trypan blue exclusion as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50008057(BMS-722782 | CHEBI:64153 | TANESPIMYCIN)
Affinity DataIC50:  33nMAssay Description:Inhibition of Hsp90 in human SKBR3 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBreakpoint cluster region protein/Tyrosine-protein kinase ABL1(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50008057(BMS-722782 | CHEBI:64153 | TANESPIMYCIN)
Affinity DataIC50:  5.00E+3nMAssay Description:Inhibition of BCR-ABL (unknown origin) expressed in mouse BA/F3 cells assessed as decrease in cell viability after 48 hrs by trypan blue exclusion as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50008057(BMS-722782 | CHEBI:64153 | TANESPIMYCIN)
Affinity DataIC50:  33nMAssay Description:Inhibition of Hsp90 in human SKBR3 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBreakpoint cluster region protein/Tyrosine-protein kinase ABL1(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50008057(BMS-722782 | CHEBI:64153 | TANESPIMYCIN)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibition of imatinib-resistant BCR-ABL T315I mutant (unknown origin) expressed in mouse BA/F3 cells assessed as decrease in cell viability after 48...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBreakpoint cluster region protein/Tyrosine-protein kinase ABL1(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50008057(BMS-722782 | CHEBI:64153 | TANESPIMYCIN)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibition of imatinib-resistant BCR-ABL T315I mutant (unknown origin) expressed in mouse BA/F3 cells assessed as decrease in cell viability after 48...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed