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

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

InChI Key InChIKey=UWKQSNNFCGGAFS-UHFFFAOYSA-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 (strain CDC 1551 / Oshk...)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM51762(MLS001401366 | SMR000469166 | IRINOTECAN HCl )trih...)
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 Depth
Date in BDB:
5/31/2011
Entry Details
PCBioAssay
TargetNuclear receptor coactivator 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM51762(MLS001401366 | SMR000469166 | IRINOTECAN HCl )trih...)
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 Depth
Date in BDB:
6/18/2012
Entry Details
PCBioAssay
TargetTegument protein VP16(HHV-1)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM51762(MLS001401366 | SMR000469166 | IRINOTECAN HCl )trih...)
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 Depth
Date in BDB:
6/18/2012
Entry Details
PCBioAssay
TargetNuclear receptor coactivator 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM51762(MLS001401366 | SMR000469166 | IRINOTECAN HCl )trih...)
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 Depth
Date in BDB:
6/18/2012
Entry Details
PCBioAssay