BDBM51762 IRINOTECAN HCl )trihydrate)::MLS001401366::SMR000469166::cid_23581792

SMILES O.Cl.CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12

InChI Key InChIKey=OHNBIIZWIUBGTK-NYPSMHOZSA-N

Data  4 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 51762   

TargetdTDP-4-dehydrorhamnose 3,5-epimerase(Mycobacterium tuberculosis H37Rv)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM51762(IRINOTECAN HCl )trihydrate) | MLS001401366 | SMR00...)
Affinity DataIC50:  651nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State Universi...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetNuclear receptor coactivator 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM51762(IRINOTECAN HCl )trihydrate) | MLS001401366 | SMR00...)
Affinity DataIC50:  2.13E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTegument protein VP16(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM51762(IRINOTECAN HCl )trihydrate) | MLS001401366 | SMR00...)
Affinity DataIC50:  1.45E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetNuclear receptor coactivator 3(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM51762(IRINOTECAN HCl )trihydrate) | MLS001401366 | SMR00...)
Affinity DataIC50:  1.52E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay