BDBM50031735 CHEMBL3360305

SMILES COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1

InChI Key InChIKey=WSMQUUGTQYPVPD-OAHLLOKOSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50031735   

TargetHeat shock protein 75 kDa, mitochondrial(Homo sapiens (Human))
University Of Ferrara

Curated by ChEMBL

LigandBDBM50031735(CHEMBL3360305)Copy SMILESCopy InChI

Affinity DataIC50:  200nMAssay Description:Inhibition of recombinant human N-terminal His6-tagged TRAP1 (60 to 704 residues) ATPase activity expressed in Escherichia coli BL21-CodonPlus-RIL af...More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
antibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLMCE
PC cidPC sidPDBSimilars

In DepthDetails ArticlePubMed
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TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL

LigandBDBM50031735(CHEMBL3360305)Copy SMILESCopy InChI

Affinity DataIC50:  13nMAssay Description:Inhibition of N-terminal His-tagged HSP90-alpha (unknown origin) after 2 hrs by spectrophotometryMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLMCE
PC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI